<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">319979</id>
  <title nil="true"/>
  <common-name>1,3,3-trimethyl-2-(4-piperidin-1-ylbut-2-ynyl)bicyclo[2.2.1]heptan-2-ol</common-name>
  <description>1,3,3-trimethyl-2-(4-piperidin-1-ylbut-2-ynyl)bicyclo[2.2.1]heptan-2-ol is a chemical compound with the formula C19H31NO. It has an average molecular weight of 289.50 g/mol.</description>
  <cas>49832-44-2</cas>
  <pubchem-id>39546</pubchem-id>
  <chemical-formula>C19H31NO</chemical-formula>
  <weight>289.5</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">2026-08-29T18:42:51Z</created-at>
  <updated-at type="dateTime">2026-08-29T18:42:51Z</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(C2CCC(C2)(C1(CC#CCN3CCCCC3)O)C)C</moldb-smiles>
  <moldb-formula>C19H31NO</moldb-formula>
  <moldb-inchi>InChI=1S/C19H31NO/c1-17(2)16-9-11-18(3,15-16)19(17,21)10-5-8-14-20-12-6-4-7-13-20/h16,21H,4,6-7,9-15H2,1-3H3</moldb-inchi>
  <moldb-inchikey>SFAKAJJMWNPZKN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">289.2405646</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>CHEM315872</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>1,3,3-trimethyl-2-(4-piperidin-1-ylbut-2-ynyl)bicyclo[2.2.1]heptan-2-ol</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>CED0270736</sync-id>
  <structure-inchikey>SFAKAJJMWNPZKN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000800000000000000001000000008000000000000000001000000000000000000000000000000040000000000000010000000000000000000080000000000000000000000000000000000021000000000000000000000800000000018000000000000020000000000000020100000000000000000000100800000048000000000000000041000020200000020000000000000000200020000000000004000000000008000000000002000010000000008000000000000000000000000000000000000000004000000000000800000000000001000000010000000000000800000000000000000000000000000000000002000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`������� ������`������� ������`�������(�������(�������`������� ������`�������`�������`�������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:25:17Z</structure-indexed-at>
</compound>
