<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">329225</id>
  <title nil="true"/>
  <common-name>1-(4-tert-butyl-1-phenylcyclohexyl)-4-methylpiperazine</common-name>
  <description>1-(4-tert-butyl-1-phenylcyclohexyl)-4-methylpiperazine is a chemical compound with the formula C21H34N2. It has an average molecular weight of 314.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>210744</pubchem-id>
  <chemical-formula>C21H34N2</chemical-formula>
  <weight>314.5</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">2026-08-30T09:22:05Z</created-at>
  <updated-at type="dateTime">2026-08-30T09:22:05Z</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(C)(C)C1CCC(CC1)(C2=CC=CC=C2)N3CCN(CC3)C</moldb-smiles>
  <moldb-formula>C21H34N2</moldb-formula>
  <moldb-inchi>InChI=1S/C21H34N2/c1-20(2,3)18-10-12-21(13-11-18,19-8-6-5-7-9-19)23-16-14-22(4)15-17-23/h5-9,18H,10-17H2,1-4H3</moldb-inchi>
  <moldb-inchikey>OGEBPPBDFZFXHZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">314.2721991</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.6</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>CHEM325118</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-(4-tert-butyl-1-phenylcyclohexyl)-4-methylpiperazine</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>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Monoterpenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0279795</sync-id>
  <structure-inchikey>OGEBPPBDFZFXHZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000000002000000000000000000000010000000000010000000000000000000000000000000004800020000000000000000000000000000000000808000000000000000000000000000020000000000000000000000008000000000200000000000000000000000000020100000000000000000000100000000048000000808000000000004000200000010100000000080000000000000000000004000000000000080000000000040000000000008000080000000000000000000000000000200000000800000000000000000000000200000000000000000000000000000041000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`�������`������� ������`�������`������@(������@h�������@h�������@h�������@h�������@h�������� ������`�������`������� ������`�������`�������`�������������������������������	��
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  <structure-indexed-at type="dateTime">2026-09-19T05:32:06Z</structure-indexed-at>
</compound>
