<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">345048</id>
  <title nil="true"/>
  <common-name>9-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol</common-name>
  <description>9-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol is a chemical compound with the formula C26H32FNO3. It has an average molecular weight of 425.50 g/mol.</description>
  <cas>101858-23-5</cas>
  <pubchem-id>59655</pubchem-id>
  <chemical-formula>C26H32FNO3</chemical-formula>
  <weight>425.5</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">2026-08-31T07:24:50Z</created-at>
  <updated-at type="dateTime">2026-08-31T07:24:50Z</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>C1CC2CC(CC(C1)N2CCCC3(OCCO3)C4=CC=C(C=C4)F)(C5=CC=CC=C5)O</moldb-smiles>
  <moldb-formula>C26H32FNO3</moldb-formula>
  <moldb-inchi>InChI=1S/C26H32FNO3/c27-22-12-10-21(11-13-22)26(30-16-17-31-26)14-5-15-28-23-8-4-9-24(28)19-25(29,18-23)20-6-2-1-3-7-20/h1-3,6-7,10-13,23-24,29H,4-5,8-9,14-19H2</moldb-inchi>
  <moldb-inchikey>REEKMQKPPHFYBM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">425.236622</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.1</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>CHEM340941</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>9-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-3-phenyl-9-azabicyclo[3.3.1]nonan-3-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>Organoheterocyclic compounds</superklass>
  <klass>Piperidines</klass>
  <subklass>Phenylpiperidines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0295408</sync-id>
  <structure-inchikey>REEKMQKPPHFYBM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80200000000000000000000000000000000000000000000000000000000000000000000001000400000000000000000000000800000000000000000c000000000000000040000000800001000010000000000000000008800010010000000080000000000000000000020100020000000000000000500800000009000000820000000000004228000000000100000000000000000000000000000004000000000000080000002001000000000001000000000000000000000000000004000004000000000040020000000000040000000200000000000000000000000000000040000000030000800000000000000040000000200000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������#���€���`�������`�������`�������`������� ������`�������`�������`������� ������`�������`�������`������� ������ ������`�������`������� �����@(������@h�������@h�������@(������@h�������@h������	� �����@(������@h�������@h�������@h�������@h�������@h��������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:44:13Z</structure-indexed-at>
</compound>
