<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">324405</id>
  <title nil="true"/>
  <common-name>[phenyl-(2-piperidin-1-ylcyclohexyl)methyl] acetate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>425080</pubchem-id>
  <chemical-formula>C20H29NO2</chemical-formula>
  <weight>315.4</weight>
  <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">2026-08-30T01:35:53Z</created-at>
  <updated-at type="dateTime">2026-08-30T01:35:53Z</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)OC(C1CCCCC1N2CCCCC2)C3=CC=CC=C3</moldb-smiles>
  <moldb-formula>C20H29NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C20H29NO2/c1-16(22)23-20(17-10-4-2-5-11-17)18-12-6-7-13-19(18)21-14-8-3-9-15-21/h2,4-5,10-11,18-20H,3,6-9,12-15H2,1H3</moldb-inchi>
  <moldb-inchikey>NZMZYGOERXRTEX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">315.2198292</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM320298</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>[phenyl-(2-piperidin-1-ylcyclohexyl)methyl] acetate</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Benzyloxycarbonyls</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0275060</sync-id>
  <structure-inchikey>NZMZYGOERXRTEX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>60000000000000000400400000000000000000000000000000080000000000000040000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000020000000040100000000000000000000000000010000000000400000000020000000020100000000000000000000500810000040100000800000000000000000000000000100000000000000000000000000000004000000000400080820000000000000000000008000000000080000000000000400008000000000000000000000400000000000000200000000000000000000000002000040000000000400000040000000000002000000000000</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">2026-09-19T05:28:34Z</structure-indexed-at>
</compound>
