347125 <common-name>2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]-1-phenylpropan-1-one</common-name> <description>2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]-1-phenylpropan-1-one is a chemical compound with the formula C27H38N2O2. It has an average molecular weight of 422.60 g/mol.</description> <cas nil="true"/> <pubchem-id>210440</pubchem-id> <chemical-formula>C27H38N2O2</chemical-formula> <weight>422.6</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">2026-08-31T10:48:05Z</created-at> <updated-at type="dateTime">2026-08-31T10:48:05Z</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>CC(C)CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3</moldb-smiles> <moldb-formula>C27H38N2O2</moldb-formula> <moldb-inchi>InChI=1S/C27H38N2O2/c1-22(2)14-19-31-26(24-10-6-4-7-11-24)21-29-17-15-28(16-18-29)20-23(3)27(30)25-12-8-5-9-13-25/h4-13,22-23,26H,14-21H2,1-3H3</moldb-inchi> <moldb-inchikey>SCYMOAVNBGMCIT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">422.2933285</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM343018</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>2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]-1-phenylpropan-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>CED0297470</sync-id> <structure-inchikey>SCYMOAVNBGMCIT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000000000020800000000000000000000000000000000000000000000000001000000008000000000000000024000000000000000000000000000000000000000000000000000000000000000020000000000100000000081200000000000000010000000000000000000100000000020100000000000000000000000000010040800000800000000000000000000000000100000000800000000000000000000000000000000400484000000000000000000000008040000000000000000000000400000000000000000000000000000000200000000200c00002010000000000000100080040000000800420000000000000004000000000000000</structure-fingerprint> 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