348637 <common-name>[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-aminobenzoate</common-name> <description>[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-aminobenzoate is a chemical compound with the formula C28H39N3O2. It has an average molecular weight of 449.60 g/mol.</description> <cas nil="true"/> <pubchem-id>3056642</pubchem-id> <chemical-formula>C28H39N3O2</chemical-formula> <weight>449.6</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">2026-08-31T12:44:06Z</created-at> <updated-at type="dateTime">2026-08-31T12:44:06Z</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>CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)N</moldb-smiles> <moldb-formula>C28H39N3O2</moldb-formula> <moldb-inchi>InChI=1S/C28H39N3O2/c1-22-19-28(24-11-7-6-8-12-24,33-26(32)23-13-15-25(29)16-14-23)27(2,20-30(22)3)21-31-17-9-4-5-10-18-31/h6-8,11-16,22H,4-5,9-10,17-21,29H2,1-3H3</moldb-inchi> <moldb-inchikey>HUIBCQOYFHPXLB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">449.3042275</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>CHEM344530</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>[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-aminobenzoate</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>Piperidines</klass> <subklass>Phenylpiperidines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0298967</sync-id> <structure-inchikey>HUIBCQOYFHPXLB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000040000000000800002000000000040000000020000100000000000000000000000000000000000000000000004000000000000000000000002000800000080000008000000000022000001000020000001000100000000020000000008000000010000000000000000000080000000124100000000000000000000100800000048000000800000000000804040009000000100000000000000800020000000040000000000000000084000000002000000004000008000000000000000000000000000000000000000000000000000004000000000080200000000010008000000000000000040000000800400000000000000000002000000000000</structure-fingerprint> 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