<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">348407</id>
  <title nil="true"/>
  <common-name>2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1,1-diphenylethanol</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>380351</pubchem-id>
  <chemical-formula>C28H33NO2</chemical-formula>
  <weight>415.6</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">2026-08-31T12:25:28Z</created-at>
  <updated-at type="dateTime">2026-08-31T12:25:28Z</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>CN1C(CCCC1CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC(C4=CC=CC=C4)O</moldb-smiles>
  <moldb-formula>C28H33NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C28H33NO2/c1-29-25(20-27(30)22-12-5-2-6-13-22)18-11-19-26(29)21-28(31,23-14-7-3-8-15-23)24-16-9-4-10-17-24/h2-10,12-17,25-27,30-31H,11,18-21H2,1H3</moldb-inchi>
  <moldb-inchikey>JENMHGAQDBWNHC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">415.2511293</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.1</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>CHEM344300</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>2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1,1-diphenylethanol</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>Diphenylmethanes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0298742</sync-id>
  <structure-inchikey>JENMHGAQDBWNHC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000808000002000000000000008000000000000100000000100000000000000000000000100000005000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000020100000000000000400000100800000041000000800000000000004000000400000100000000000000000000000000000204000000002500080000000040000000000000000000000000000000008000000400000000000000000000000000000000020040000200000000000000000000000000000040000000080000000000000000000000000040000001</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�������@h�������@h�������@h��������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:46:47Z</structure-indexed-at>
</compound>
