<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">309913</id>
  <title nil="true"/>
  <common-name>3-(4-methylpiperazin-1-yl)propyl 2-ethyl-2-methylhexanoate</common-name>
  <description>3-(4-methylpiperazin-1-yl)propyl 2-ethyl-2-methylhexanoate is a chemical compound with the formula C17H34N2O2. It has an average molecular weight of 298.50 g/mol.</description>
  <cas>32051-71-1</cas>
  <pubchem-id>35783</pubchem-id>
  <chemical-formula>C17H34N2O2</chemical-formula>
  <weight>298.5</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">2026-08-29T04:38:11Z</created-at>
  <updated-at type="dateTime">2026-08-29T04:38:11Z</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>CCCCC(C)(CC)C(=O)OCCCN1CCN(CC1)C</moldb-smiles>
  <moldb-formula>C17H34N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C17H34N2O2/c1-5-7-9-17(3,6-2)16(20)21-15-8-10-19-13-11-18(4)12-14-19/h5-15H2,1-4H3</moldb-inchi>
  <moldb-inchikey>BLOLIPDRRQOASJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">298.2620283</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</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>CHEM305806</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>3-(4-methylpiperazin-1-yl)propyl 2-ethyl-2-methylhexanoate</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>Fatty Acyls</klass>
  <subklass>Fatty acid esters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0260898</sync-id>
  <structure-inchikey>BLOLIPDRRQOASJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>6000000000000022080000000200400021000000000000001000000000000000000000300000000000000000000000080000000000000000000000000000000000000000000008001000000000000002400000000010000000000000000000000002001000000000000000000000000000002010000200000000000000000000000004000000000080000000000400000000000000000000008000000000000000008000000000000000000000000000000000000000000a000000000000200000000000000000000000000000000000000000000800002000000000000010000000000000000000000000000011400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`������� ������`�������`�������`�������(�������(�������(�������`�������`�������`������� ������`�������`������� ������`�������`�������`�������������������������������	(��
 
������������������������������B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:17:27Z</structure-indexed-at>
</compound>
