347019 <common-name>[1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] 4-nitrobenzoate</common-name> <description>[1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] 4-nitrobenzoate is a chemical compound with the formula C27H35N3O4. It has an average molecular weight of 465.60 g/mol.</description> <cas nil="true"/> <pubchem-id>206566</pubchem-id> <chemical-formula>C27H35N3O4</chemical-formula> <weight>465.6</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">2026-08-31T10:38:18Z</created-at> <updated-at type="dateTime">2026-08-31T10:38:18Z</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)CN2CCCCC2)(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C27H35N3O4</moldb-formula> <moldb-inchi>InChI=1S/C27H35N3O4/c1-21-18-27(23-10-6-4-7-11-23,34-25(31)22-12-14-24(15-13-22)30(32)33)26(2,19-28(21)3)20-29-16-8-5-9-17-29/h4,6-7,10-15,21H,5,8-9,16-20H2,1-3H3</moldb-inchi> <moldb-inchikey>KLXQEXJMHHWABV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">465.2627566</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.1</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>CHEM342912</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>[1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-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>CED0297367</sync-id> <structure-inchikey>KLXQEXJMHHWABV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000040000000000800002000000000040000000020000100000000000000000000000000000000000000000000004000000000000000000000002000800000080000008000000000022000001000020000001000100001000020000400048000000010000000200000000000000000000124100000000000000000000100800000048000000800000000000804040000000001100000000000000800020000000040000000000000000084000000002000000000000008000000000000000000000000000000000000000000000000000004000000000080200000000010000420000000000000040000000800400000000001000000002000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAiAAAAJQAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAICBgAgAAAABAYAIAAAAAQGAGAAAAACAgcAIAAAAAMGAGAAAAAB AwYAYAAAAAEDBgBgAAAAAgIHACAAAAADBgBgAAAAAgIGAGAAAAACAgYAYAAA AAICBgBgAAAAAgIGAGAAAAACAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB BkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBCAAoAAAAAwIGACgAAAADBAgA KAAAAAMCBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAA AAMDAQZAaAAAAAMDAQcgKgAAAAEDBAgAKAAAAAMCCCAqAAAA/wMBCwABAAEC AAIDAAMEAAQFAAUGAAYHAAQIAAQJAAkKAAoLAAsMAAwNAA0OAA4PAAMQABAR aAwREmgMEhNoDBMUaAwUFWgMAxYAFhcgFxgoAhcZIBkaaAwaG2gMGxxoDBwd aAwdHmgMHB8gHyAoAh8hIAYBAA8KABUQaAweGWgMQgQAAAAGAQYFBAMCBgsM DQ4PCgYREhMUFRAGGhscHR4ZFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:45:37Z</structure-indexed-at> </compound>