340183 <common-name>[5-[(dimethylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate</common-name> <description>[5-[(dimethylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate is a chemical compound with the formula C24H31N3O4. It has an average molecular weight of 425.50 g/mol.</description> <cas nil="true"/> <pubchem-id>214310</pubchem-id> <chemical-formula>C24H31N3O4</chemical-formula> <weight>425.5</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">2026-08-30T23:41:14Z</created-at> <updated-at type="dateTime">2026-08-30T23:41:14Z</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)CN(C)C)(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C24H31N3O4</moldb-formula> <moldb-inchi>InChI=1S/C24H31N3O4/c1-18-15-24(20-9-7-6-8-10-20,23(2,16-25(3)4)17-26(18)5)31-22(28)19-11-13-21(14-12-19)27(29)30/h6-14,18H,15-17H2,1-5H3</moldb-inchi> <moldb-inchikey>SSYDMOZEUYCUMF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">425.2314565</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</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>CHEM336076</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-[(dimethylamino)methyl]-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>CED0290599</sync-id> <structure-inchikey>SSYDMOZEUYCUMF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800002000000000040000000020000100000000000000000000000000000000000000000000004000000000000000000000002000800000080000008000010000022000000000028000001000100001000020000400048000000010000000200000000004000000000124100001000000000000000100000000048000000800000000000804040108000001100000000000000000020000000040000000000000000084000000000000008000000000000000000000000000000000000000000000000000000000000004000000000000200000000000000420000000000000040000000800400000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������!���€���`�������`�������`������� ������ ������`������� ������`�������`�������`������� ������`�������`������@(������@h�������@h�������@h�������@h�������@h��������(�������(�������(������@(������@h�������@h�������@(������@h�������@h������� *��������(������ *���ÿ���������������������������� � � �� ��� � �h���h���h���h���h������ ��(��� ��h���h���h���h���h��� ��(��� ���� h���h�B����������������� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:40:31Z</structure-indexed-at> </compound>