337232 <common-name>[1,7,7-trimethyl-3-(piperidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 4-nitrobenzoate</common-name> <description>[1,7,7-trimethyl-3-(piperidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 4-nitrobenzoate is a chemical compound with the formula C23H32N2O4. It has an average molecular weight of 400.50 g/mol.</description> <cas>17066-40-9</cas> <pubchem-id>204858</pubchem-id> <chemical-formula>C23H32N2O4</chemical-formula> <weight>400.5</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">2026-08-30T20:00:25Z</created-at> <updated-at type="dateTime">2026-08-30T20:00:25Z</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(C2CCC1(C(C2CN3CCCCC3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C)C</moldb-smiles> <moldb-formula>C23H32N2O4</moldb-formula> <moldb-inchi>InChI=1S/C23H32N2O4/c1-22(2)19-11-12-23(22,3)20(18(19)15-24-13-5-4-6-14-24)29-21(26)16-7-9-17(10-8-16)25(27)28/h7-10,18-20H,4-6,11-15H2,1-3H3</moldb-inchi> <moldb-inchikey>XWEWJWSDRBWCIX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">400.2362075</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.4</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>CHEM333125</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>[1,7,7-trimethyl-3-(piperidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0287676</sync-id> <structure-inchikey>XWEWJWSDRBWCIX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000800000000000100040000000000000000000000000000000000000000040000000008000000000000000000000000000000000000000010040004010000000000002000000000020000000000100001000000000400840000000010000000200000000000000000800020100000000000000000000100800000248080000000000000200000000200000001000000000000000000020400000000004000000000000084000000002000800000000008000000000000100000000000020000000000000000000000000004000000000000200000000010000420000000000000040000000000400000000001000000102000000000100</structure-fingerprint> 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