124444 <common-name>Isonipecotic acid, 1-methyl-4-phenyl-</common-name> <description>Isonipecotic acid, 1-methyl-4-phenyl- belongs to the phenylpiperidines, a subclass of piperidines within the organic compounds. This organoheterocyclic compound has the chemical formula C13H17NO2 and an average molecular weight of 219.28 g/mol.</description> <cas>3627-48-3</cas> <pubchem-id>101106</pubchem-id> <chemical-formula>C13H17NO2</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-06T08:11:39Z</created-at> <updated-at type="dateTime">2026-04-06T08:11:39Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CN1CCC(CC1)(C(O)=O)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C13H17NO2</moldb-formula> <moldb-inchi>InChI=1S/C13H17NO2/c1-14-9-7-13(8-10-14,12(15)16)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,16)</moldb-inchi> <moldb-inchikey>KHUPPYUUMRDAAX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">219.284</moldb-average-mass> <moldb-mono-mass type="decimal">219.1259288</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>91344</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM120337</chemdb-id> <dsstox-id>DTXSID30189812</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00114042</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Piperidines</klass> <subklass>Phenylpiperidines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0084860</sync-id> <structure-inchikey>KHUPPYUUMRDAAX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000000008000000001008000010000000000000000000008000000000000000000000004000000000000000000000000000000000000000008000000000000000000000020000000000000000000000000000008000000010000000000000000000000000000020100000008000000000000000000000048000000800000000000004000200000000100000000080000000000000000000000000000000000080000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000200000000002000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`������� ������`�������`�������(�������h��������(������@(������@h�������@h�������@h�������@h�������@h������������������������������ � (�� � �h���h�� h� �h���h����� h�B�������������� �� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:47:19Z</structure-indexed-at> </compound>