302696 <common-name>1-piperidin-3-yl-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole</common-name> <description>1-piperidin-3-yl-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole belongs to the harmala alkaloids, a class of alkaloids and derivatives within the organic compounds. This compound has the chemical formula C16H21N3 and an average molecular weight of 255.36 g/mol.</description> <cas nil="true"/> <pubchem-id>3076918</pubchem-id> <chemical-formula>C16H21N3</chemical-formula> <weight>255.36</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">2026-08-28T19:46:47Z</created-at> <updated-at type="dateTime">2026-08-28T19:46:47Z</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>C1CC(CNC1)C2C3=C(CCN2)C4=CC=CC=C4N3</moldb-smiles> <moldb-formula>C16H21N3</moldb-formula> <moldb-inchi>InChI=1S/C16H21N3/c1-2-6-14-12(5-1)13-7-9-18-15(16(13)19-14)11-4-3-8-17-10-11/h1-2,5-6,11,15,17-19H,3-4,7-10H2</moldb-inchi> <moldb-inchikey>WYGBNKLPTJQQFW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">255.1735477</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.8</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>CHEM298589</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-piperidin-3-yl-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole</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>Alkaloids and derivatives</superklass> <klass>Harmala alkaloids</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0253911</sync-id> <structure-inchikey>WYGBNKLPTJQQFW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000000100000000000000000000000000000000000000080000004000000000000040000000000000000000000000020000000000000000000000000000400000000000000040000000000000000040000200000000000000000800000000000000000000000000020000000000002000000002100810000000000080800000200000000000000000000100000000000400000000000010080004000004040000080000000000000000000000000000001000000000000000040000000000000000800000000000000000000000204200000001000000010000000000000040000400000000000000000000080000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`������@(������@(�������`�������`�������`������@(������@h�������@h�������@h�������@h�������@(������@8������������������������������h�� � � ����h�� h� �h���h���h���h���h���������h���h�B������������ ����� ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:12:04Z</structure-indexed-at> </compound>