331705 <common-name>1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]isoquinoline</common-name> <description>1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]isoquinoline is a chemical compound with the formula C22H25N3. It has an average molecular weight of 331.50 g/mol.</description> <cas>126921-49-1</cas> <pubchem-id>3080025</pubchem-id> <chemical-formula>C22H25N3</chemical-formula> <weight>331.5</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">2026-08-30T12:37:53Z</created-at> <updated-at type="dateTime">2026-08-30T12:37:53Z</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)CCC3=NC=CC4=CC=CC=C43</moldb-smiles> <moldb-formula>C22H25N3</moldb-formula> <moldb-inchi>InChI=1S/C22H25N3/c1-18-6-2-5-9-22(18)25-16-14-24(15-17-25)13-11-21-20-8-4-3-7-19(20)10-12-23-21/h2-10,12H,11,13-17H2,1H3</moldb-inchi> <moldb-inchikey>JTQXKNXBXKRQFO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">331.2048478</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.4</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>CHEM327598</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-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]isoquinoline</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>CED0282239</sync-id> <structure-inchikey>JTQXKNXBXKRQFO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2080000000000000000000000000000000002001000000000000000000000000000000000000200000010000040000004000000000000000000000000000000000010000000000000000000000000000000000000000000000100000000004000000000000000000000102010000000000200000000000000000004000000180008000000000400000000000010000000000100000000000010000000000000004000008010000000000000008000000a000000800000000000000040000000000000000010000000000000000006000000200000000010000000000000001002040000040000000000000000000000001000000000000</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���h���h���h��� ���� � � ����� � �������h���h���h���h���h���h���h���h���h���h������h���h�B������������� ���������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:34:08Z</structure-indexed-at> </compound>