<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">319847</id>
  <title nil="true"/>
  <common-name>[2,6-di(propan-2-yl)phenyl] 2-(4-methylpiperazin-1-yl)acetate</common-name>
  <description>[2,6-di(propan-2-yl)phenyl] 2-(4-methylpiperazin-1-yl)acetate is a chemical compound with the formula C19H30N2O2. It has an average molecular weight of 318.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>120599</pubchem-id>
  <chemical-formula>C19H30N2O2</chemical-formula>
  <weight>318.5</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">2026-08-29T18:33:59Z</created-at>
  <updated-at type="dateTime">2026-08-29T18:33:59Z</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)C1=C(C(=CC=C1)C(C)C)OC(=O)CN2CCN(CC2)C</moldb-smiles>
  <moldb-formula>C19H30N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C19H30N2O2/c1-14(2)16-7-6-8-17(15(3)4)19(16)23-18(22)13-21-11-9-20(5)10-12-21/h6-8,14-15H,9-13H2,1-5H3</moldb-inchi>
  <moldb-inchikey>XPNZUOJRFZJQLT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">318.2307282</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.8</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>CHEM315740</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>[2,6-di(propan-2-yl)phenyl] 2-(4-methylpiperazin-1-yl)acetate</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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0062458</sync-id>
  <structure-inchikey>XPNZUOJRFZJQLT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40020000000000000020800000000040000000000000004000010000000400000000041000000000000400000000000000000000000000000000000000000000000000000000002004000200000000000020000000000100000000000000000000000000010010000000000000000000000000020100000000000000000000000001000040000000800000000000004000000000000000000000080000000000000000008000000000000000082000000000000000000000018000000000000000000000000000000000000000000000000000000000000060000200000000010000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������@(������@(������@(������@h�������@h�������@h��������`�������`�������`�������(�������(�������(�������`������� ������`�������`������� ������`�������`�������`�����������������h���h���h���h���h��	�	
�	���� � �(��������������������������h����B����������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:25:08Z</structure-indexed-at>
</compound>
