322399 <common-name>2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-prop-2-enylpurine</common-name> <description>2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-prop-2-enylpurine is a chemical compound with the formula C20H22N6O2. It has an average molecular weight of 378.40 g/mol.</description> <cas nil="true"/> <pubchem-id>3052994</pubchem-id> <chemical-formula>C20H22N6O2</chemical-formula> <weight>378.4</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">2026-08-29T22:27:35Z</created-at> <updated-at type="dateTime">2026-08-29T22:27:35Z</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>C=CCN1C=NC2=CN=C(N=C21)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5</moldb-smiles> <moldb-formula>C20H22N6O2</moldb-formula> <moldb-inchi>InChI=1S/C20H22N6O2/c1-2-5-26-13-22-16-11-21-20(23-19(16)26)25-8-6-24(7-9-25)12-15-3-4-17-18(10-15)28-14-27-17/h2-4,10-11,13H,1,5-9,12,14H2</moldb-inchi> <moldb-inchikey>VFLIQPQMUIKDRT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">378.180424</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</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>CHEM318292</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>2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-prop-2-enylpurine</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>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0273106</sync-id> <structure-inchikey>VFLIQPQMUIKDRT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20a00000000000000000000000000000020000000000000000000000000200000000000000002000000100000000400000000008000000000000000000000000000000000000000000800000000200000000002080000000008000000000000000000000100000000000020908000000000000008040000090400000000000004000000000000000000000000000000000000000800000000000000200000004000201080000000000000000090000008000010820000100000000000000000000000000050000080000008000000000000220041008010080000800000001010040000000400000000000000000000000000000000000</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� h� �h� � � � �������������������h���h���h���h���h��� ��������h���h������h��� B������������� ��� ����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:26:55Z</structure-indexed-at> </compound>