<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">303342</id>
  <title nil="true"/>
  <common-name>(2,4,6-trimethylphenyl) 2-piperidin-1-ylacetate</common-name>
  <description>(2,4,6-trimethylphenyl) 2-piperidin-1-ylacetate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C16H23NO2 and an average molecular weight of 261.36 g/mol. It is further classified under the superclass of organic acids and derivatives.</description>
  <cas nil="true"/>
  <pubchem-id>121287</pubchem-id>
  <chemical-formula>C16H23NO2</chemical-formula>
  <weight>261.36</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">2026-08-28T20:35:27Z</created-at>
  <updated-at type="dateTime">2026-08-28T20:35:27Z</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>CC1=CC(=C(C(=C1)C)OC(=O)CN2CCCCC2)C</moldb-smiles>
  <moldb-formula>C16H23NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C16H23NO2/c1-12-9-13(2)16(14(3)10-12)19-15(18)11-17-7-5-4-6-8-17/h9-10H,4-8,11H2,1-3H3</moldb-inchi>
  <moldb-inchikey>OJQMLJVQLVLQIV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">261.172879</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.7</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>CHEM299235</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>(2,4,6-trimethylphenyl) 2-piperidin-1-ylacetate</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" nil="true"/>
  <sync-id>CED0254537</sync-id>
  <structure-inchikey>OJQMLJVQLVLQIV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000010000000000800000000000000000000000004000080000000000000000040000000000000400000000000000000000000000004000000000000000000000000000002000000000000000000020000000000100000000000000000000000000010000000000000000100000000000020100000000000000000000000800000040000000000000000000000000000000000000000000000000000000000000008000000000000000082100000002000000000000018000000000000000000000000000000000000000000000000000000000002040000000000000010000000100000000000040000000000400000000400000000002000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@(������@(������@(������@h��������`�������(�������(�������(�������`������� ������`�������`�������`�������`�������`�������`�����������h���h���h���h���h������ �	 	
(�	�����������������������h����B���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:12:42Z</structure-indexed-at>
</compound>
