<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">322489</id>
  <title nil="true"/>
  <common-name>3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)propan-1-one</common-name>
  <description>3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)propan-1-one is a chemical compound with the formula C20H23ClN2O2. It has an average molecular weight of 358.90 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>211944</pubchem-id>
  <chemical-formula>C20H23ClN2O2</chemical-formula>
  <weight>358.9</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">2026-08-29T22:37:00Z</created-at>
  <updated-at type="dateTime">2026-08-29T22:37:00Z</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>COC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)C3=CC=CC=C3Cl</moldb-smiles>
  <moldb-formula>C20H23ClN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C20H23ClN2O2/c1-25-17-8-6-16(7-9-17)20(24)10-11-22-12-14-23(15-13-22)19-5-3-2-4-18(19)21/h2-9H,10-15H2,1H3</moldb-inchi>
  <moldb-inchikey>QOKMEYCLTFZPLU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">358.1448057</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.8</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>CHEM318382</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>3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)propan-1-one</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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer">6</paper-count>
  <sync-id>CED0040637</sync-id>
  <structure-inchikey>QOKMEYCLTFZPLU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2080000000000000000000000000000000000001000000000000000000000020000000000200000000014000000000000000000000000000000000000040000000000000000000002000000000010000020000000000000004000001000001004000000040000000000002010000000002000000000000000000004000000080000000000000400000000000010000000000000000000000010000000000000000000008400000000000000010000000a000000800000080000408000000000000200000010000000010044000000000000200000000010000000000000000000040000000000400000000000000000000000000000000</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��� �	(��
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�������������������� ��h���h���h���h���h������h������h�B����������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:27:00Z</structure-indexed-at>
</compound>
