322881 <common-name>4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methylpiperidine</common-name> <description>4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methylpiperidine is a compound with the formula C20H23NS. It has an average molecular weight of 309.50 g/mol.</description> <cas nil="true"/> <pubchem-id>204796</pubchem-id> <chemical-formula>C20H23NS</chemical-formula> <weight>309.5</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">2026-08-29T23:17:55Z</created-at> <updated-at type="dateTime">2026-08-29T23:17:55Z</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>CN1CCC(CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24</moldb-smiles> <moldb-formula>C20H23NS</moldb-formula> <moldb-inchi>InChI=1S/C20H23NS/c1-21-12-10-15(11-13-21)18-14-16-6-2-4-8-19(16)22-20-9-5-3-7-17(18)20/h2-9,15,18H,10-14H2,1H3</moldb-inchi> <moldb-inchikey>FTGMOEQYMGJNJN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">309.1551209</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</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>CHEM318774</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-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methylpiperidine</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>Benzothiepins</klass> <subklass>Dibenzothiepins</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0273579</sync-id> <structure-inchikey>FTGMOEQYMGJNJN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100010000010000000000000000000000000000000000100000040000000000000100000000000000000000000000000000400000000000000000000010000000000000000000000008000000000000000000000000000000000000020100040000000800400000101000100040080000800000000000004040000000000100000000080000000000000000000004000000010000080000000000000000000000008000000000000000000000000040000000000000000000000000000008000000000200000000000000000000000000000040000000000000000000000000000000000000000108</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�B������������������ � �� � �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:27:19Z</structure-indexed-at> </compound>