322491 <common-name>3-chloro-5-(2-piperidin-1-ylethyl)benzo[d][1,3,6]benzodioxazocine</common-name> <description>3-chloro-5-(2-piperidin-1-ylethyl)benzo[d][1,3,6]benzodioxazocine is a chemical compound with the formula C20H23ClN2O2. It has an average molecular weight of 358.90 g/mol.</description> <cas nil="true"/> <pubchem-id>172466</pubchem-id> <chemical-formula>C20H23ClN2O2</chemical-formula> <weight>358.9</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">2026-08-29T22:37:11Z</created-at> <updated-at type="dateTime">2026-08-29T22:37:11Z</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)CCN2C3=CC=CC=C3OCOC4=C2C=C(C=C4)Cl</moldb-smiles> <moldb-formula>C20H23ClN2O2</moldb-formula> <moldb-inchi>InChI=1S/C20H23ClN2O2/c21-16-8-9-20-18(14-16)23(13-12-22-10-4-1-5-11-22)17-6-2-3-7-19(17)24-15-25-20/h2-3,6-9,14H,1,4-5,10-13,15H2</moldb-inchi> <moldb-inchikey>JYSPJDURLWCJMF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">358.1448057</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>CHEM318384</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-chloro-5-(2-piperidin-1-ylethyl)benzo[d][1,3,6]benzodioxazocine</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>CED0273194</sync-id> <structure-inchikey>JYSPJDURLWCJMF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000008000000000000080000000080000000000040000000000008000000000000000000000000000000000000000000000000002000040000000000000000000000000000040000008000000000000000080000000000000000000000000000000000000008000000000000010000000000002010000000000000000000000081000000000000080040000000000400000000000010000000000000000004000010000000000000400000008000000000200004000000000e000000000000000000000000000000000000000010000000010000000000000000200000000010080000000000000010040000400400000000000000000000002000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAHAAAAIABBgBgAAAAAgIGAGAAAAAC AgYAYAAAAAICBwAgAAAAAwYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAA AAICBwAoAAAAAwMGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMD AQZAaAAAAAMDAQZAKAAAAAMECAAoAAAAAwIGAGAAAAACAggAKAAAAAMCBkAo AAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAA AwMBEQAgAAAAAQsAAQABAgACAwADBAAEBQADBgAGBwAHCAAICSAJCmgMCgto DAsMaAwMDWgMDQ5oDA4PIA8QABARABESIBITaAwTFGgMFBVoDBUWaAwWF2gM FRgABQAAEwggDgloDBcSaAxCBAAAAAYABQQDAgEGCgsMDQ4JCA8QERITCAkO BhQVFhcSExcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:27:00Z</structure-indexed-at> </compound>