<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365736</id>
  <title nil="true"/>
  <common-name>Methyl 4-hydroxy-1,1-dimethylpiperidin-1-ium-3-carboxylate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3070303</pubchem-id>
  <chemical-formula>C9H18NO3+</chemical-formula>
  <weight>188.24</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">2026-09-01T16:30:52Z</created-at>
  <updated-at type="dateTime">2026-09-01T16:30:52Z</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>C[N+]1(CCC(C(C1)C(=O)OC)O)C</moldb-smiles>
  <moldb-formula>C9H18NO3+</moldb-formula>
  <moldb-inchi>InChI=1S/C9H18NO3/c1-10(2)5-4-8(11)7(6-10)9(12)13-3/h7-8,11H,4-6H2,1-3H3/q+1</moldb-inchi>
  <moldb-inchikey>CZTUZVOCBOMVLP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">188.1286684</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.2</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>CHEM361629</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>Methyl 4-hydroxy-1,1-dimethylpiperidin-1-ium-3-carboxylate</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>Organoheterocyclic compounds</superklass>
  <klass>Piperidines</klass>
  <subklass>Piperidinecarboxylic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315684</sync-id>
  <structure-inchikey>CZTUZVOCBOMVLP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000000000000200000004000000000000000000000000000000000000000000000000000002000000000000000000000000002000000000000000000000000000024000000000100000000000000000000000000010100000040400000000000000000020000000000000000000000100000000040000000000000000000000080000000000000000000000000400000000000000004000008000000000000000010000000000000000000000000002000000000010000010000000000000000000000000000000000004000000000000000000000000000000000000000000400000000000000000000000000000080</structure-fingerprint>
  <structure-pattern-fingerprint>1000002001020e0088000000010821000000040001052000002420408200000c44200050008000000000010800800000042000a5008c30010000443000a0400084110400020004000090112000620100000005805000003240000420000009000c2000061048020000000000d0300000200280100505e0043118000000110002404400080c4000000800020088080008100c0012444014020004088000008080004300000000480000000840012c211002c0000181410840100002180840021000110084040000120180000005010280040400000200500004000000080001000000081000000000000080010012200400100010004000020000010050000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������������€���`������ "�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�����������������������������(��	 	
����������B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:45Z</structure-indexed-at>
</compound>
