<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">336188</id>
  <title nil="true"/>
  <common-name>2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]quinoline</common-name>
  <description>2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]quinoline is a chemical compound with the formula C23H27N3. It has an average molecular weight of 345.50 g/mol.</description>
  <cas>57962-04-6</cas>
  <pubchem-id>3044981</pubchem-id>
  <chemical-formula>C23H27N3</chemical-formula>
  <weight>345.5</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">2026-08-30T18:33:16Z</created-at>
  <updated-at type="dateTime">2026-08-30T18:33:16Z</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>C1CN(CCN1CCC2=CC=CC=C2)CCC3=NC4=CC=CC=C4C=C3</moldb-smiles>
  <moldb-formula>C23H27N3</moldb-formula>
  <moldb-inchi>InChI=1S/C23H27N3/c1-2-6-20(7-3-1)12-14-25-16-18-26(19-17-25)15-13-22-11-10-21-8-4-5-9-23(21)24-22/h1-11H,12-19H2</moldb-inchi>
  <moldb-inchikey>KUIHHXDVPFEUOQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">345.2204979</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.3</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>CHEM332081</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-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]quinoline</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>Quinolines and derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0286650</sync-id>
  <structure-inchikey>KUIHHXDVPFEUOQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2080000000000000000000000000000010002000000000000000004000000000000000000000200400000000000000000000000000000000000000000000000000000000000000000000000000000800000800000000000000000000000000000000000000000000000002010000000000000000000040000004000020000180400000000000400000000000010000000000100000000000000000000000000000000008000000000000000000000800a000000000000000000000000000000000000000000000000000000000000000000220000000010200000000000001000040000008000000000001000002000000000000000000</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�	
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���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:37:41Z</structure-indexed-at>
</compound>
