302361 <common-name>8-chloro-4-(piperidin-1-ylmethyl)-3,4-dihydro-2h-1-benzoxepin-5-one</common-name> <description>8-chloro-4-(piperidin-1-ylmethyl)-3,4-dihydro-2h-1-benzoxepin-5-one belongs to the benzoxepines, a class of organoheterocyclic compounds within the organic compounds. It has the chemical formula C16H20ClNO2 and an average molecular weight of 293.79 g/mol.</description> <cas nil="true"/> <pubchem-id>37743</pubchem-id> <chemical-formula>C16H20ClNO2</chemical-formula> <weight>293.79</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">2026-08-28T19:25:50Z</created-at> <updated-at type="dateTime">2026-08-28T19:25:50Z</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>C1CCN(CC1)CC2CCOC3=C(C2=O)C=CC(=C3)Cl</moldb-smiles> <moldb-formula>C16H20ClNO2</moldb-formula> <moldb-inchi>InChI=1S/C16H20ClNO2/c17-13-4-5-14-15(10-13)20-9-6-12(16(14)19)11-18-7-2-1-3-8-18/h4-5,10,12H,1-3,6-9,11H2</moldb-inchi> <moldb-inchikey>HCYNSRCZDOAAMH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">293.1182566</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM298254</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>8-chloro-4-(piperidin-1-ylmethyl)-3,4-dihydro-2h-1-benzoxepin-5-one</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 nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0253579</sync-id> <structure-inchikey>HCYNSRCZDOAAMH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20008000000000000000800000000000000000000400000000100080000000000000080000000020000000008000000000000000020000400000000100000000000000000000400000000000000000000020800000800000000000000000000000000000000080000000000000100000000800020100020000000000000000100800000000000000000000000000000000000000000000000000000000000000000000000004000000000000080000000002000000000000008000000000004000000000000020000010000000000000002010000000000000000201000000010000000000000000000040000000400000000010000000000002000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������� ������`�������`�������`�������`�������`�������`�������(������@(������@(�������(�������(������@h�������@h�������@(������@h�������� ������������������������������ � � � ��h�� �(���h���h���h���h������� ����h�B�������������� �� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:11:48Z</structure-indexed-at> </compound>