331875 <common-name>1-(spiro[1,3-dioxolane-2,11'-6h-benzo[c][1]benzoxepine]-4-ylmethyl)piperidine</common-name> <description>1-(spiro[1,3-dioxolane-2,11'-6h-benzo[c][1]benzoxepine]-4-ylmethyl)piperidine is a chemical compound with the formula C22H25NO3. It has an average molecular weight of 351.40 g/mol.</description> <cas nil="true"/> <pubchem-id>217918</pubchem-id> <chemical-formula>C22H25NO3</chemical-formula> <weight>351.4</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">2026-08-30T12:52:21Z</created-at> <updated-at type="dateTime">2026-08-30T12:52:21Z</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)CC2COC3(O2)C4=CC=CC=C4COC5=CC=CC=C35</moldb-smiles> <moldb-formula>C22H25NO3</moldb-formula> <moldb-inchi>InChI=1S/C22H25NO3/c1-6-12-23(13-7-1)14-18-16-25-22(26-18)19-9-3-2-8-17(19)15-24-21-11-5-4-10-20(21)22/h2-5,8-11,18H,1,6-7,12-16H2</moldb-inchi> <moldb-inchikey>NXDAWKLKQHJMKU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">351.1834437</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>CHEM327768</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-(spiro[1,3-dioxolane-2,11'-6h-benzo[c][1]benzoxepine]-4-ylmethyl)piperidine</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>CED0282406</sync-id> <structure-inchikey>NXDAWKLKQHJMKU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000000000808000000000000000000000080000000000000000000000000000000000000000000010000800000108000000004000000000000000000000000000000000000000004000000000008001000000000000000000000000000000000000000000000000000000000008000201000000000000000000005008000000080200008000000000000010000000000001000000000a000000000000000000000000800000000008010000000200000000080000c000000000000000000000000020004000000000000000000000000008000000000200000000010000000000000000000040000000400010000000000000080002000000000400</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">2026-09-19T05:34:16Z</structure-indexed-at> </compound>