<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">336937</id>
  <title nil="true"/>
  <common-name>1-[(6,7-dimethoxy-3,4-dihydro-1h-isochromen-1-yl)methyl]-4-(2-methylphenyl)piperazine</common-name>
  <description>1-[(6,7-dimethoxy-3,4-dihydro-1h-isochromen-1-yl)methyl]-4-(2-methylphenyl)piperazine is a chemical compound with the formula C23H30N2O3. It has an average molecular weight of 382.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3053547</pubchem-id>
  <chemical-formula>C23H30N2O3</chemical-formula>
  <weight>382.5</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">2026-08-30T19:35:18Z</created-at>
  <updated-at type="dateTime">2026-08-30T19:35:18Z</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>CC1=CC=CC=C1N2CCN(CC2)CC3C4=CC(=C(C=C4CCO3)OC)OC</moldb-smiles>
  <moldb-formula>C23H30N2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C23H30N2O3/c1-17-6-4-5-7-20(17)25-11-9-24(10-12-25)16-23-19-15-22(27-3)21(26-2)14-18(19)8-13-28-23/h4-7,14-15,23H,8-13,16H2,1-3H3</moldb-inchi>
  <moldb-inchikey>ASJPZIIKIPIQGG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">382.2256428</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM332830</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>1-[(6,7-dimethoxy-3,4-dihydro-1h-isochromen-1-yl)methyl]-4-(2-methylphenyl)piperazine</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>Organoheterocyclic compounds</superklass>
  <klass>Diazinanes</klass>
  <subklass>Piperazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0287391</sync-id>
  <structure-inchikey>ASJPZIIKIPIQGG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20800000000000000800000000000000010000010000400000000000000000000000040000000000000100000000000040000000000000000000000000000000000100000000000000800000000100000080000000000000000000200000200040000000100000000800020100020000000000000000101000000040000000800000000000020200000000000100000000080400000000100100000000000000000000080100000000000000000000008000000800000080000000000020000000000000010008004000000000002000200200000000010000000000000000000040000000000000000000000020000001000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAcAAAAHwAAAIABBgBgAAAAAQMGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:38:11Z</structure-indexed-at>
</compound>
