<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">336886</id>
  <title nil="true"/>
  <common-name>(2s,3s)-2-phenyl-n-[(5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidin-3-amine</common-name>
  <description>(2s,3s)-2-phenyl-n-[(5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidin-3-amine is a chemical compound with the formula C23H30N2O. It has an average molecular weight of 350.50 g/mol.</description>
  <cas>738562-73-7</cas>
  <pubchem-id>70199405</pubchem-id>
  <chemical-formula>C23H30N2O</chemical-formula>
  <weight>350.5</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">2026-08-30T19:30:47Z</created-at>
  <updated-at type="dateTime">2026-08-30T19:30:47Z</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>CC(C)C1=CC2=C(C(=C1)CNC3CCCNC3C4=CC=CC=C4)OCC2</moldb-smiles>
  <moldb-formula>C23H30N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C23H30N2O/c1-16(2)19-13-18-10-12-26-23(18)20(14-19)15-25-21-9-6-11-24-22(21)17-7-4-3-5-8-17/h3-5,7-8,13-14,16,21-22,24-25H,6,9-12,15H2,1-2H3/t21-,22-/m0/s1</moldb-inchi>
  <moldb-inchikey>AESKGNAICHGTKF-VXKWHMMOSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">350.2358136</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>CHEM332779</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>(2s,3s)-2-phenyl-n-[(5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidin-3-amine</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>CED0287341</sync-id>
  <structure-inchikey>AESKGNAICHGTKF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800002000000000800000000000000000000000000010000001000084000000000000000000004000000000000400000040000000000000000000800000000000200000000000000900000000000000000000200000000000000000000000000020000100000000000020000020000000000000000100800000040000000800008200000000880000000000100000000080400000001000200000004000004000410080000100000000000001000000000001000004000000000400000000000000000000001000000000080000000200200000000000008000000000000000040000400009000000000000000000000000000000800</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������@(������@h�������@(������@(������@(������@h��������`�������`�������`�������`�������`�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@h��������(�������`�������`�����������������h���h���h���h���h��	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:38:09Z</structure-indexed-at>
</compound>
