<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">63608</id>
  <title nil="true"/>
  <common-name>Methyl (4-phenyl-4-piperidyl) ketone</common-name>
  <description>Methyl (4-phenyl-4-piperidyl) ketone belongs to the phenylpiperidines, a subclass of piperidines within the organic compounds. It is an organoheterocyclic compound with the formula C13H17N1O1 and an average molecular weight of 203.28 g/mol.</description>
  <cas>34798-80-6</cas>
  <pubchem-id>101521</pubchem-id>
  <chemical-formula>C13H17N1O1</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">2026-04-03T01:19:20Z</created-at>
  <updated-at type="dateTime">2026-04-03T01:19:20Z</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>CC(=O)C1(CCNCC1)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C13H17N1O1</moldb-formula>
  <moldb-inchi>InChI=1S/C13H17NO/c1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3</moldb-inchi>
  <moldb-inchikey>RKHWHRHOEKYEJW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">203.285</moldb-average-mass>
  <moldb-mono-mass type="decimal">203.131014</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>91734</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>CHEM059501</chemdb-id>
  <dsstox-id>DTXSID80188335</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00015558</susdat-id>
  <iupac>1-(4-phenylpiperidin-4-yl)ethanone</iupac>
  <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">1</paper-count>
  <sync-id>CED0063483</sync-id>
  <structure-inchikey>RKHWHRHOEKYEJW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000000000000000000000000000000000000000000000000000000000000000008004000000000000000000004000000000000000000000000000000000000000008000000000000008000000020000000000000000000000000000008000000010000000000000000000000000000024000000000000000000000400000000048000000800000200000000000200000000100020000000000000000000000080000000000000000080000000000000000000000000800000008000000000000000000000000000000000000000000000000000000000200000000000000000000000000000040000000000c00000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(�������(������� ������`�������`�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@h���������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:16:20Z</structure-indexed-at>
</compound>
