<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">335796</id>
  <title nil="true"/>
  <common-name>2-[[4-(4-phenylpiperazin-1-yl)anilino]methyl]phenol</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3061256</pubchem-id>
  <chemical-formula>C23H25N3O</chemical-formula>
  <weight>359.5</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">2026-08-30T18:02:28Z</created-at>
  <updated-at type="dateTime">2026-08-30T18:02:28Z</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>C1CN(CCN1C2=CC=CC=C2)C3=CC=C(C=C3)NCC4=CC=CC=C4O</moldb-smiles>
  <moldb-formula>C23H25N3O</moldb-formula>
  <moldb-inchi>InChI=1S/C23H25N3O/c27-23-9-5-4-6-19(23)18-24-20-10-12-22(13-11-20)26-16-14-25(15-17-26)21-7-2-1-3-8-21/h1-13,24,27H,14-18H2</moldb-inchi>
  <moldb-inchikey>LGRXESWIAKXWFW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">359.1997624</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.8</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>CHEM331689</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-[[4-(4-phenylpiperazin-1-yl)anilino]methyl]phenol</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>Phenylmethylamines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0286262</sync-id>
  <structure-inchikey>LGRXESWIAKXWFW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000081000000000000000000000100010000000000400001000000000000000000000000000000000400010000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000000001000000001000000000000000000002010000000000000000000000000000400000000080000000000000008000000000010000000000000000000000000000000000000400000008000004008000000000000000c000000800000040000000000000042100000000000000000000000000000000000200000000000000000041000000000040000000000000000000000000000000000000000000</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������������������������ ��h���h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:37:26Z</structure-indexed-at>
</compound>
