324411 <common-name>3-[2-[(e)-pent-3-enyl]piperidin-1-yl]propyl benzoate</common-name> <description>3-[2-[(e)-pent-3-enyl]piperidin-1-yl]propyl benzoate is a chemical compound with the formula C20H29NO2. It has an average molecular weight of 315.40 g/mol.</description> <cas>64050-35-7</cas> <pubchem-id>6434853</pubchem-id> <chemical-formula>C20H29NO2</chemical-formula> <weight>315.4</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">2026-08-30T01:36:26Z</created-at> <updated-at type="dateTime">2026-08-30T01:36:26Z</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=CCCC1CCCCN1CCCOC(=O)C2=CC=CC=C2</moldb-smiles> <moldb-formula>C20H29NO2</moldb-formula> <moldb-inchi>InChI=1S/C20H29NO2/c1-2-3-5-13-19-14-8-9-15-21(19)16-10-17-23-20(22)18-11-6-4-7-12-18/h2-4,6-7,11-12,19H,5,8-10,13-17H2,1H3/b3-2+</moldb-inchi> <moldb-inchikey>ZLAMOIIYVOQQBW-NSCUHMNNSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">315.2198292</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</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>CHEM320304</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>3-[2-[(e)-pent-3-enyl]piperidin-1-yl]propyl benzoate</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0275066</sync-id> <structure-inchikey>ZLAMOIIYVOQQBW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000000000000050000000000000008000000000000000000000000000100000010000000004004000000000000000000000000000000000000000000000000002000000000020000000000300000000000000000000000000010000008008000000000020000000020100000000020000000000100800000040000000800000000000004000000000000100000000000000000000000000000004000000080100084000000000000000000000008000000000200000008008000000800000000000000000000000000800a00002000200000000000000000000000000000040000000010400000000008000004002000022000000</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� ����h�B������ ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:28:35Z</structure-indexed-at> </compound>