<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">318718</id>
  <title nil="true"/>
  <common-name>4-[3-[4-(4-chlorophenyl)piperazin-1-yl]propoxy]aniline</common-name>
  <description>4-[3-[4-(4-chlorophenyl)piperazin-1-yl]propoxy]aniline is a chemical compound with the formula C19H24ClN3O. It has an average molecular weight of 345.90 g/mol.</description>
  <cas>85868-49-1</cas>
  <pubchem-id>55417</pubchem-id>
  <chemical-formula>C19H24ClN3O</chemical-formula>
  <weight>345.9</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">2026-08-29T17:05:31Z</created-at>
  <updated-at type="dateTime">2026-08-29T17:05:31Z</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(CCN1CCCOC2=CC=C(C=C2)N)C3=CC=C(C=C3)Cl</moldb-smiles>
  <moldb-formula>C19H24ClN3O</moldb-formula>
  <moldb-inchi>InChI=1S/C19H24ClN3O/c20-16-2-6-18(7-3-16)23-13-11-22(12-14-23)10-1-15-24-19-8-4-17(21)5-9-19/h2-9H,1,10-15,21H2</moldb-inchi>
  <moldb-inchikey>YVSOYHIBFVYDRT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">345.1607901</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>CHEM314611</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-[3-[4-(4-chlorophenyl)piperazin-1-yl]propoxy]aniline</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>CED0269509</sync-id>
  <structure-inchikey>YVSOYHIBFVYDRT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000002080000200000000000000000000000000008000400000000000000000000020000000000000000000010000000000000000000000000000000000000040000000000000000000000400000001010000020000000000000000000000008000000000000000008000000002010000000000000000000000002000000002000000000000000000400000900000000000000000000000000000000000000000000000000008000004000000000008400000a000000800000000000000000000000000000000000000000010000000800000000200000000010008000040000000000040000000010000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>501000000932024081000900012820000000040000052000003100400204080c48020854008000000000410800800000042000a5408d30010020643000a04010c6110c00028006100090100000620200000405805001103240000422000241000c200526004082000000040055340009200080500101e0045198000002710002104000080ee0800808020240082c0008111d0812440014020000080000400080884310001010c00000000840017c27100ac00000894108401000020008c00210001002c404400022018080000405028000000000420050000d0000000800020000004810008000000000000250122000001000308042000e0008100050000602</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������`�������`������� ������`�������`�������`�������(������@(������@h�������@h�������@(������@h�������@h��������h�������@(������@h�������@h�������@(������@h�������@h�������� ������������������������������	�	
 
�h���h��h��h���h�� �� ��h���h���h���h���h��������
h���h�B����������������
�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:24:12Z</structure-indexed-at>
</compound>
