<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">317274</id>
  <title nil="true"/>
  <common-name>[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone</common-name>
  <description>[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone is a chemical compound with the formula C19H20N2O4. It has an average molecular weight of 340.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>198850</pubchem-id>
  <chemical-formula>C19H20N2O4</chemical-formula>
  <weight>340.4</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">2026-08-29T15:20:28Z</created-at>
  <updated-at type="dateTime">2026-08-29T15:20:28Z</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(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4O</moldb-smiles>
  <moldb-formula>C19H20N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C19H20N2O4/c22-16-4-2-1-3-15(16)19(23)21-9-7-20(8-10-21)12-14-5-6-17-18(11-14)25-13-24-17/h1-6,11,22H,7-10,12-13H2</moldb-inchi>
  <moldb-inchikey>BKPKQZHBHBEXRR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">340.1423071</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.7</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>CHEM313167</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>[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone</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>Benzoic acids and derivatives</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0061683</sync-id>
  <structure-inchikey>BKPKQZHBHBEXRR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20800000000040000000000000000000000000000000000000000000000200000000000020000000000000000000400000000000000000000000000000000000000000000000000020800000000000000000002080000000008000010000000000000000100000000000020102000000000000000000000010000000000000800000000000000000000000000100100000000000000000000000000000000004000000080000000000000001000000008000008020000000000000000004002100000000010000000000000000000000000220041000010080000001000000010040000000400400000000000000000100004000000000</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�	
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	�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:23:09Z</structure-indexed-at>
</compound>
