323928 <common-name>3-(2-chloroanilino)-5,5-dimethyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one</common-name> <description>3-(2-chloroanilino)-5,5-dimethyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one is a chemical compound with the formula C20H27ClN2O. It has an average molecular weight of 346.90 g/mol.</description> <cas>74972-02-4</cas> <pubchem-id>187754</pubchem-id> <chemical-formula>C20H27ClN2O</chemical-formula> <weight>346.9</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">2026-08-30T00:48:41Z</created-at> <updated-at type="dateTime">2026-08-30T00:48:41Z</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(CC(=C(C(=O)C1)CN2CCCCC2)NC3=CC=CC=C3Cl)C</moldb-smiles> <moldb-formula>C20H27ClN2O</moldb-formula> <moldb-inchi>InChI=1S/C20H27ClN2O/c1-20(2)12-18(22-17-9-5-4-8-16(17)21)15(19(24)13-20)14-23-10-6-3-7-11-23/h4-5,8-9,22H,3,6-7,10-14H2,1-2H3</moldb-inchi> <moldb-inchikey>CMPKUAOWJPDARO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">346.1811912</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</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>CHEM319821</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-(2-chloroanilino)-5,5-dimethyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Aniline and substituted anilines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0274591</sync-id> <structure-inchikey>CMPKUAOWJPDARO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000880000000000000004000000000000000000000000000000000000000020000000008002000001000000000000000000000000100000040000000000400000000000000000000020000000000000800000000001000000008000000000000000000000000000000000020108000000020000000000000800000048000000800000080000000080000000000100000080000000000020000004000000000000000000080000400002000000000000008100000000000000000000000000000000000000000000100010008000000002000200040000010000000000000000000040000000000000000000000000000002000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAYAAAAGgAAAIABBgBgAAAAAQMGACAAAAAE BgBgAAAAAgIGACgAAAADBAYAKAAAAAMEBgAoAAAAAwQIACgAAAADAgYAYAAA AAICBgBgAAAAAgIHACAAAAADBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBg AAAAAgIGAGAAAAACAgcAaAAAAAMCAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQRACAAAAABBgBgAAAAAQML AAEAAQIAAgMAAwQoAgQFIAUGKAIFBwAECAAICQAJCgAKCwALDAAMDQANDgAD DyAPECAQEWgMERJoDBITaAwTFGgMFBVoDBUWAAEXAAcBAA4JABUQaAxCAwAA AAYBBwUEAwIGCgsMDQ4JBhESExQVEBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:28:15Z</structure-indexed-at> </compound>