140644 <common-name>Pentapiperium</common-name> <description>Pentapiperium belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C19H30NO2 and an average molecular weight of 304.45 g/mol.</description> <cas>26372-86-1</cas> <pubchem-id>27490</pubchem-id> <chemical-formula>C19H30NO2</chemical-formula> <weight>304.4</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">2026-04-15T16:45:29Z</created-at> <updated-at type="dateTime">2026-08-20T04:13:24Z</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>DB19383</drugbank-id> <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>CCC(C)C(C(=O)OC1CC[N+](C)(C)CC1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C19H30NO2</moldb-formula> <moldb-inchi>InChI=1S/C19H30NO2/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17/h6-10,15,17-18H,5,11-14H2,1-4H3/q+1</moldb-inchi> <moldb-inchikey>WSWDKMFWJOALEW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">304.453</moldb-average-mass> <moldb-mono-mass type="decimal">304.22710563</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</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>CHEM136537</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>(1,1-dimethylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate</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>Phenylpropanes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0118607</sync-id> <structure-inchikey>WSWDKMFWJOALEW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000100000010000000000000000000000000000000001002000000000000000000000004000000002000000000000000000000000000000000000000000000000000000820000000000100000000000000000000000000010000000000000000000000000000020000000000000000000800100000000040400000800000000200000000000000000100000000000000000000000000000004000008000400080020002010000000000000000000000010000000800000000400010000000000000000000000000000010000004200000000400000000000000000000144000000000400040000000000000000000000000000</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�B����� ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:51:24Z</structure-indexed-at> </compound>