337086 <common-name>11-[3-(4-methylpiperazin-1-yl)propyl]-10,12-dihydro-5h-benzo[d][2]benzazocine</common-name> <description>11-[3-(4-methylpiperazin-1-yl)propyl]-10,12-dihydro-5h-benzo[d][2]benzazocine is a chemical compound with the formula C23H31N3. It has an average molecular weight of 349.50 g/mol.</description> <cas nil="true"/> <pubchem-id>205543</pubchem-id> <chemical-formula>C23H31N3</chemical-formula> <weight>349.5</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">2026-08-30T19:47:48Z</created-at> <updated-at type="dateTime">2026-08-30T19:47:48Z</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)CCCN2CC3=CC=CC=C3CC4=CC=CC=C4C2</moldb-smiles> <moldb-formula>C23H31N3</moldb-formula> <moldb-inchi>InChI=1S/C23H31N3/c1-24-13-15-25(16-14-24)11-6-12-26-18-22-9-4-2-7-20(22)17-21-8-3-5-10-23(21)19-26/h2-5,7-10H,6,11-19H2,1H3</moldb-inchi> <moldb-inchikey>JTRKMZCLVWAKRU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">349.251798</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM332979</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>11-[3-(4-methylpiperazin-1-yl)propyl]-10,12-dihydro-5h-benzo[d][2]benzazocine</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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Amines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0287534</sync-id> <structure-inchikey>JTRKMZCLVWAKRU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000002080000000000000000000000100000001000000000000000100000000000000000000000000010000000000000000000000000004000000000000000000000000000000000000000400000000000000000000000000000000000008000000000000000000000000000002010000000000000000000000000000004000000080000000000000400000000000010000000008000000000000000000000000000000000008000000000000000000000000a000000000010000000008000000000000000000000000000000000008000000000200000000010000000000000000000040000000010000000020000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAaAAAAHQAAAIABBgBgAAAAAQMHACAAAAAD BgBgAAAAAgIGAGAAAAACAgcAIAAAAAMGAGAAAAACAgYAYAAAAAICBgBgAAAA AgIGAGAAAAACAgYAYAAAAAICBwAgAAAAAwYAYAAAAAICBkAoAAAAAwQGQGgA AAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAYAYAAA AAICBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAAD AwEGQCgAAAADBAYAYAAAAAICCwABAAECAAIDAAMEAAQFAAUGAAQHAAcIAAgJ AAkKAAoLAAsMAAwNaAwNDmgMDg9oDA8QaAwQEWgMERIAEhMAExRoDBQVaAwV FmgMFhdoDBcYaAwYGQAGAQAZCgARDGgMGBNoDEIEAAAABgEGBQQDAggLDBES ExgZCgYNDg8QEQwGFBUWFxgTFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:38:18Z</structure-indexed-at> </compound>