336386 <common-name>4-[4-[2-(4-chloro-2-methylphenoxy)ethyl]piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one</common-name> <description>4-[4-[2-(4-chloro-2-methylphenoxy)ethyl]piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one is a chemical compound with the formula C23H28ClFN2O2. It has an average molecular weight of 418.90 g/mol.</description> <cas nil="true"/> <pubchem-id>218654</pubchem-id> <chemical-formula>C23H28ClFN2O2</chemical-formula> <weight>418.9</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">2026-08-30T18:52:34Z</created-at> <updated-at type="dateTime">2026-08-30T18:52:34Z</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=C(C=CC(=C1)Cl)OCCN2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F</moldb-smiles> <moldb-formula>C23H28ClFN2O2</moldb-formula> <moldb-inchi>InChI=1S/C23H28ClFN2O2/c1-18-17-20(24)6-9-23(18)29-16-15-27-13-11-26(12-14-27)10-2-3-22(28)19-4-7-21(25)8-5-19/h4-9,17H,2-3,10-16H2,1H3</moldb-inchi> <moldb-inchikey>IPODOTWWPINQKE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">418.182334</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.5</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>CHEM332279</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-[4-[2-(4-chloro-2-methylphenoxy)ethyl]piperazin-1-yl]-1-(4-fluorophenyl)butan-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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0286848</sync-id> <structure-inchikey>IPODOTWWPINQKE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000002080220000000000000000040000800000008000000000000000000000000000000000000000000000000000000000000000000000000000000400000040000000000000000000002400000000011000000000000000000000000001008000000000000010000000000002010000000000000000000000000000006000000000000000000000400000000000000000000000000000000000000000000000000000000008410000200000000018000000a000000002000000000008000000000000200000000000020010044000002800000200000000010000000000800000000040000000010400800000000020000000000800000004</structure-fingerprint> 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