345257 <common-name>[5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate</common-name> <description>[5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate is a chemical compound with the formula C26H35N3O4. It has an average molecular weight of 453.60 g/mol.</description> <cas nil="true"/> <pubchem-id>206562</pubchem-id> <chemical-formula>C26H35N3O4</chemical-formula> <weight>453.6</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">2026-08-31T07:49:50Z</created-at> <updated-at type="dateTime">2026-08-31T07:49:50Z</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>CCN(CC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C)C</moldb-smiles> <moldb-formula>C26H35N3O4</moldb-formula> <moldb-inchi>InChI=1S/C26H35N3O4/c1-6-28(7-2)19-25(4)18-27(5)20(3)17-26(25,22-11-9-8-10-12-22)33-24(30)21-13-15-23(16-14-21)29(31)32/h8-16,20H,6-7,17-19H2,1-5H3</moldb-inchi> <moldb-inchikey>QOADCCVCXBZXHZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">453.2627566</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>CHEM341150</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-(diethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate</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>CED0295617</sync-id> <structure-inchikey>QOADCCVCXBZXHZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800002000000000040000000020000100000000000100000000002000000000000000000000004000000000000000000000002000800000080000008000010000022000000000020000001000100001000020000400048000000010000000200000000004000000000124900001000000000000000100000000048000000800000000000804040000000001100000000000000000020000000040000000000000000084000000000000000000000000000000000000000000000000080000000000000000000000000004000000000000200400000000000420000000000000040000000800400000000001000040000000000000000</structure-fingerprint> 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