<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">346892</id>
  <title nil="true"/>
  <common-name>2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-(2-ethyl-2,3-dihydro-1h-inden-5-yl)propanoate</common-name>
  <description>2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-(2-ethyl-2,3-dihydro-1h-inden-5-yl)propanoate is a chemical compound with the formula C27H33F3N2O2. It has an average molecular weight of 474.60 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3059730</pubchem-id>
  <chemical-formula>C27H33F3N2O2</chemical-formula>
  <weight>474.6</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">2026-08-31T10:27:00Z</created-at>
  <updated-at type="dateTime">2026-08-31T10:27:00Z</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>CCC1CC2=C(C1)C=C(C=C2)C(C)C(=O)OCCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F</moldb-smiles>
  <moldb-formula>C27H33F3N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C27H33F3N2O2/c1-3-20-15-22-8-7-21(17-23(22)16-20)19(2)26(33)34-14-13-31-9-11-32(12-10-31)25-6-4-5-24(18-25)27(28,29)30/h4-8,17-20H,3,9-16H2,1-2H3</moldb-inchi>
  <moldb-inchikey>NJEAPIUNENSMDT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">474.2494128</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.4</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>CHEM342785</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>2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl 2-(2-ethyl-2,3-dihydro-1h-inden-5-yl)propanoate</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>Diazinanes</klass>
  <subklass>Piperazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0297240</sync-id>
  <structure-inchikey>NJEAPIUNENSMDT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4004000400000000002180000000200000001000000000000000000101000000000000100200000000000000000000000000010000000000000004000000810000800400000000000000000010000800002000000001010000000000000000800000000001400000000000000010000008000002010000000000000000000010000100404000000080000000000000400000000000000000000008000008000000000000040000000000040008000000004000000006000000a000000800200000000000000000000000000200000000000000000000000000000200000000010000000040000004000040000000000400800000000000080000000044000000</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�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:45:31Z</structure-indexed-at>
</compound>
