332602 <common-name>3-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazin-1-yl]propan-1-ol</common-name> <description>3-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazin-1-yl]propan-1-ol is a chemical compound with the formula C22H28N2O2. It has an average molecular weight of 352.50 g/mol.</description> <cas nil="true"/> <pubchem-id>213492</pubchem-id> <chemical-formula>C22H28N2O2</chemical-formula> <weight>352.5</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">2026-08-30T13:48:15Z</created-at> <updated-at type="dateTime">2026-08-30T13:48:15Z</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=CC2=C(C=C1)OC3=CC=CC=C3CC2N4CCN(CC4)CCCO</moldb-smiles> <moldb-formula>C22H28N2O2</moldb-formula> <moldb-inchi>InChI=1S/C22H28N2O2/c1-17-7-8-22-19(15-17)20(16-18-5-2-3-6-21(18)26-22)24-12-10-23(11-13-24)9-4-14-25/h2-3,5-8,15,20,25H,4,9-14,16H2,1H3</moldb-inchi> <moldb-inchikey>CQJZXRKHGNPSQT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">352.2150781</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM328495</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>3-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazin-1-yl]propan-1-ol</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>Benzoxepines</klass> <subklass>Dibenzoxepines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0283112</sync-id> <structure-inchikey>CQJZXRKHGNPSQT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2080000000001000000000000000000040000201100000000000000000000000000000000000000000000000000008000000400000000000000000000000000000000000000000000480000400000000000000000000000000000001000000000000000010000000000002010000000000000000000410101000004000000080000000002000400000000000010000080008000000000000000000800000000000000008000100000000000000000000e000000000000000000080080000000000000000000000000000000008002000800200000001010000200100000002000040000000410000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAaAAAAHQAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEI ACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBo AAAAAwMBBkAoAAAAAwQGAGAAAAACAgYAYAAAAAMBBwAgAAAAAwYAYAAAAAIC BgBgAAAAAgIHACAAAAADBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAA AgIGAGAAAAACAggAYAAAAAEBCwABAAECaAwCA2gMAwRoDAQFaAwFBmgMBAcg BwggCAloDAkKaAwKC2gMCwxoDAwNaAwNDgAODwAPEAAQEQAREgASEwATFAAU FQATFgAWFwAXGAAYGQAGAWgMDwMADQhoDBUQAEIEAAAABgEGBQQDAgcHBAMP Dg0IBgkKCwwNCAYREhMUFRAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:34:52Z</structure-indexed-at> </compound>