<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">353346</id>
  <title nil="true"/>
  <common-name>Bis[1-(4-phenylpiperidin-4-yl)ethyl] benzene-1,4-dicarboxylate</common-name>
  <description>Bis[1-(4-phenylpiperidin-4-yl)ethyl] benzene-1,4-dicarboxylate is a chemical compound with the formula C34H40N2O4. With an average molecular weight of 540.70 g/mol, Bis[1-(4-phenylpiperidin-4-yl)ethyl] benzene-1,4-dicarboxylate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>44151347</pubchem-id>
  <chemical-formula>C34H40N2O4</chemical-formula>
  <weight>540.7</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">2026-08-31T20:14:15Z</created-at>
  <updated-at type="dateTime">2026-08-31T20:14:15Z</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>CC(C1(CCNCC1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(=O)OC(C)C4(CCNCC4)C5=CC=CC=C5</moldb-smiles>
  <moldb-formula>C34H40N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C34H40N2O4/c1-25(33(17-21-35-22-18-33)29-9-5-3-6-10-29)39-31(37)27-13-15-28(16-14-27)32(38)40-26(2)34(19-23-36-24-20-34)30-11-7-4-8-12-30/h3-16,25-26,35-36H,17-24H2,1-2H3</moldb-inchi>
  <moldb-inchikey>ODYKTPBKLUFWNS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">540.2988078</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.1</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>CHEM349239</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>Bis[1-(4-phenylpiperidin-4-yl)ethyl] benzene-1,4-dicarboxylate</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>CED0303630</sync-id>
  <structure-inchikey>ODYKTPBKLUFWNS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000000040000000000000000004000000040000000000000000000000000100000440000000000000000000400000000000000000000000000000000000000000800000000000a000000000020000000000100000000000000000008000000010000000000000000000000000000020000080000000000000000000000000048000000800000200000000000200000000100020000000000000000000000080000000000000000084000000000000000000000000000000008000000000000000000000000000000000000000000004000000000000200008000000000000000000404000040000000000400000000000000040000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������(���,���€���`�������`������� ������`�������`�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@h��������(�������(�������(������@(������@h�������@h�������@(������@h�������@h��������(�������(�������(�������`�������`������� ������`�������`�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@h��������������������������������	h�	
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�������������� !��#$%&amp;'"����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:51:05Z</structure-indexed-at>
</compound>
