← Back to consensus flows

1-methylpiperidine

UUID 969f7f50-52bb-45c7-9c49-678711cbd944
Deprecated yes
Replaced By 0eead165-92e0-4851-911e-69b27d5b7d75
Flow Object IDfo-c0b76f860804bf33
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 626-67-5
EC Numbers 210-959-9
prefLabel
Language Value Provenance
en 1-methylpiperidine
altLabel ⓘ
Language Value Provenance
en <em>N</em>-Methylpiperidine
en Piperidine, 1-methyl-
References
Shared Properties
Predicate Value
InChIKey AMGAHYUHOCOXTN-UHFFFAOYSA-N, PAMIQIKDUOTOBW-UHFFFAOYSA-N, QDUXDCXILAPLAG-UHFFFAOYSA-N
InChI InChI=1S/C13H23NO6S/c1-13(2,3)20-12(16)14-10(11(15)19-4)9-5-7-21(17,18)8-6-9/h9-10H,5-8H2,1-4H3,(H,14,16), InChI=1S/C6H13N.ClH/c1-7-5-3-2-4-6-7;/h2-6H2,1H3;1H, InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3
IUPAC name 1-methylpiperidine, 2-(1,1-dioxo-4-thianyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid methyl ester, 2-(tert-butoxycarbonylamino)-2-(1,1-diketothian-4-yl)acetic acid methyl ester, hydron;1-methylpiperidine;chloride, methyl 2-(1,1-dioxothian-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate, methyl 2-(tert-butoxycarbonylamino)-2-(1,1-dioxothian-4-yl)acetate, methyl 2-[1,1-bis(oxidanylidene)thian-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate
Molecular formula C13H23NO6S, C6H13N, C6H14ClN
SMILES CC(C)(C)OC(=O)NC(C1CCS(=O)(=O)CC1)C(=O)OC, CN1CCCCC1, [H+].CN1CCCCC1.[Cl-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 969f7f50-52bb-45c7-9c49-678711cbd944 1-methylpiperidine

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=626-67-5; added Common Chemistry CAS names as altLabel: <em>N</em>-Methylpiperidine, Piperidine, 1-methyl-; object_uuid=fo-c0b76f860804bf33
cas_match_labels 1 — consensus_match group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'626-67-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0b76f860804bf33: {'626-67-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '<em>N</em>-Methylpiperidine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:626-67-5', 'https://commonchemistry.cas.org/detail?cas_rn=626-67-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Piperidine, 1-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:626-67-5', 'https://commonchemistry.cas.org/detail?cas_rn=626-67-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=626-67-5; added Common Chemistry CAS names as altLabel: <em>N</em>-Methylpiperidine, Piperidine, 1-methyl-; object_uuid=fo-c0b76f860804bf33
cas_match_labels None {'626-67-5': 'exactMatch'} group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'626-67-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0b76f860804bf33: {'626-67-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "969f7f50-52bb-45c7-9c49-678711cbd944",
  "name": null,
  "cas_numbers": [
    "626-67-5"
  ],
  "ec_numbers": [
    "210-959-9"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.22539
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.22539
    }
  ],
  "source": "EF 3.1",
  "identifier": "969f7f50-52bb-45c7-9c49-678711cbd944",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "969f7f50-52bb-45c7-9c49-678711cbd944",
      "source_flow_name": "1-methylpiperidine",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to soil",
          "Emissions to soil, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "1-methylpiperidine",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H23NO6S",
        "C6H13N",
        "C6H14ClN"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12291",
          "CID:24729730",
          "CID:44558461"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "AMGAHYUHOCOXTN-UHFFFAOYSA-N",
        "PAMIQIKDUOTOBW-UHFFFAOYSA-N",
        "QDUXDCXILAPLAG-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12291",
          "CID:24729730",
          "CID:44558461"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)(C)OC(=O)NC(C1CCS(=O)(=O)CC1)C(=O)OC",
        "CN1CCCCC1",
        "[H+].CN1CCCCC1.[Cl-]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12291",
          "CID:24729730",
          "CID:44558461"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C13H23NO6S/c1-13(2,3)20-12(16)14-10(11(15)19-4)9-5-7-21(17,18)8-6-9/h9-10H,5-8H2,1-4H3,(H,14,16)",
        "InChI=1S/C6H13N.ClH/c1-7-5-3-2-4-6-7;/h2-6H2,1H3;1H",
        "InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12291",
          "CID:24729730",
          "CID:44558461"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1-methylpiperidine",
        "2-(1,1-dioxo-4-thianyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid methyl ester",
        "2-(tert-butoxycarbonylamino)-2-(1,1-diketothian-4-yl)acetic acid methyl ester",
        "hydron;1-methylpiperidine;chloride",
        "methyl 2-(1,1-dioxothian-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate",
        "methyl 2-(tert-butoxycarbonylamino)-2-(1,1-dioxothian-4-yl)acetate",
        "methyl 2-[1,1-bis(oxidanylidene)thian-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12291",
          "CID:24729730",
          "CID:44558461"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.106I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12291;CAS:626-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[626-67-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.009.964",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12291;CAS:626-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[626-67-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=17874-59-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:44558461;CAS:626-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[626-67-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=626-67-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "626-67-5"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID8060822",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12291;CAS:626-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[626-67-5]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/1-Methylpiperidine",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12291;CAS:626-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[626-67-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/617374QZN4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12291;CAS:626-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[626-67-5]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0243944",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12291;CAS:626-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[626-67-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/12291",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12291;CAS:626-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[626-67-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/24729730",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:24729730;CAS:626-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[626-67-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/44558461",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:44558461;CAS:626-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[626-67-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2399",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12291;CAS:626-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[626-67-5]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL281417",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12291;CAS:626-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[626-67-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q24004759",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12291;CAS:626-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[626-67-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q83040445",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:44558461;CAS:626-67-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[626-67-5]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "<em>N</em>-Methylpiperidine",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:626-67-5",
          "https://commonchemistry.cas.org/detail?cas_rn=626-67-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Piperidine, 1-methyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:626-67-5",
          "https://commonchemistry.cas.org/detail?cas_rn=626-67-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "626-67-5": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:0eead165-92e0-4851-911e-69b27d5b7d75",
  "is_replaced_by_uuid": "0eead165-92e0-4851-911e-69b27d5b7d75",
  "flow_object_id": "fo-c0b76f860804bf33"
}