<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">348645</id>
  <title nil="true"/>
  <common-name>[5-[(dipropylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>206564</pubchem-id>
  <chemical-formula>C28H39N3O4</chemical-formula>
  <weight>481.6</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">2026-08-31T12:44:47Z</created-at>
  <updated-at type="dateTime">2026-08-31T12:44:47Z</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>CCCN(CCC)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>C28H39N3O4</moldb-formula>
  <moldb-inchi>InChI=1S/C28H39N3O4/c1-6-17-30(18-7-2)21-27(4)20-29(5)22(3)19-28(27,24-11-9-8-10-12-24)35-26(32)23-13-15-25(16-14-23)31(33)34/h8-16,22H,6-7,17-21H2,1-5H3</moldb-inchi>
  <moldb-inchikey>FDGKBNBUBPFJHC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">481.2940567</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6</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>CHEM344538</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-[(dipropylamino)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>CED0298975</sync-id>
  <structure-inchikey>FDGKBNBUBPFJHC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800002000000000040000000020000100000000000100000000002000000000000000000000004000000000000000000000002000800000080000008000010000022000000000020000021000100001000020000400048000020010000000200000000004000000000124100001000000000000000100000000048000000800000000000804040000000001100000000000000000020000000040000000000000000084000000000000000000000000000000000000000000000000000000000000000000000000000004000000000000200400000000000420000000000000040000000800400000001001000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>7034c0008d128e6481001b608138a3001800140081072010803d20708224484c6c220050138000000100410800c08040046002a5608d3221002c653b80a04010c7110c801280144040901160127203000804c58051211f3340040462400249440c28052f104c122940080580ddb4004eb08680520525e1067118044002510806504410084ef0820808060250c82c02a8391d881244429e8a500488a06040808401d3309100b0ca2002045960017d35144ac000238941084010904a184cc00212a01000a404d82233198186a0775103910c050010030070000d60820028010300903849341881012011408001511620861050043080c2042e1108110052000602</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������#���%���€���`�������`�������`������� ������`�������`�������`�������`������� ������`������� ������`�������`������� �����@(������@h�������@h�������@h�������@h�������@h��������(�������(�������(������@(������@h�������@h�������@(������@h�������@h������� *��������(������ *���ÿ����`�������`�������`�������������������������������	�	
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	������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:46:56Z</structure-indexed-at>
</compound>
