<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">319583</id>
  <title nil="true"/>
  <common-name>1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-methylpiperazin-1-yl)ethanol</common-name>
  <description>1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-methylpiperazin-1-yl)ethanol is a compound with the chemical formula C19H28N2O. It has an average molecular weight of 300.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3051303</pubchem-id>
  <chemical-formula>C19H28N2O</chemical-formula>
  <weight>300.4</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">2026-08-29T18:15:16Z</created-at>
  <updated-at type="dateTime">2026-08-29T18:15:16Z</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>CN1CCN(CC1)CC(C2=C3CCCC3=CC4=C2CCC4)O</moldb-smiles>
  <moldb-formula>C19H28N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C19H28N2O/c1-20-8-10-21(11-9-20)13-18(22)19-16-6-2-4-14(16)12-15-5-3-7-17(15)19/h12,18,22H,2-11,13H2,1H3</moldb-inchi>
  <moldb-inchikey>ZKEAKDPVKNIOTF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">300.2201635</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.6</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>CHEM315476</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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(4-methylpiperazin-1-yl)ethanol</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>Indanes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0270353</sync-id>
  <structure-inchikey>ZKEAKDPVKNIOTF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40022000000000000020820010000000000000000000000000010000100000000000000000000000000000000040000000000000000000000000000000000000000000000008000000400000000000000000000000000000000000000000000000000000010000000000000001100008000000020100000000000000100000000800000040000000000000000000004000000000000000000000080000000000000000000000000000002000080100000000000000000000008040000000000000000000000000000000002000000000000000000000000000200000000000010000000000000000000040000000000020000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`������� ������`�������`�������`�������`������@(������@(�������`�������`�������`������@(������@h�������@(������@(�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:24:52Z</structure-indexed-at>
</compound>
