307198 <common-name>2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7h-purine</common-name> <description>2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7h-purine belongs to the piperazines, a subclass of diazinanes within the organic compounds. It is classified as an organoheterocyclic compound with the formula C17H18N6O2. The compound has an average molecular weight of 338.40 g/mol.</description> <cas nil="true"/> <pubchem-id>216532</pubchem-id> <chemical-formula>C17H18N6O2</chemical-formula> <weight>338.4</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">2026-08-29T01:12:50Z</created-at> <updated-at type="dateTime">2026-08-29T01:12:50Z</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>C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C5C(=N4)N=CN5</moldb-smiles> <moldb-formula>C17H18N6O2</moldb-formula> <moldb-inchi>InChI=1S/C17H18N6O2/c1-2-14-15(25-11-24-14)7-12(1)9-22-3-5-23(6-4-22)17-18-8-13-16(21-17)20-10-19-13/h1-2,7-8,10H,3-6,9,11H2,(H,18,19,20,21)</moldb-inchi> <moldb-inchikey>BGNRZEGGLXCQSK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">338.1491238</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</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>CHEM303091</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]-7h-purine</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>CED0258250</sync-id> <structure-inchikey>BGNRZEGGLXCQSK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20a00000000100000000000000000000000000000000000000000000000200000000000000002000000100000000400000002000000000000000000000000000000080000000000000800000000000004000002080000000008000020000002000000000100000000000020100000000000002000000000010400000000000000000200000000000000020000000000000000000800000000000000000000004000001080000000000000000080000008000000820000100000000800010000000000000010000080000000000000000000220041000010080000000000001010040000000400000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAHQAAAIABBgBgAAAAAgIGAGAAAAAC AgcAKAAAAAMDBgBgAAAAAgIGAGAAAAACAgcAIAAAAAMGAGAAAAACAgZAKAAA AAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMD AQgAKAAAAAMCBgBgAAAAAgIIACgAAAADAgZAKAAAAAMEB0AoAAAAAwMGQGgA AAADAwEGQCgAAAADBAZAKAAAAAMEB0AoAAAAAwMHQCgAAAADAwZAaAAAAAMD AQdAOAAAAAMBAwsAAQABAgACAwADBAAEBQAFBgAGBwAHCGgMCAloDAkKaAwK C2gMCwxoDAoNIA0OAA4PAAIQIBARaAwREmgMEhNoDBMUaAwUFWgMFBZoDBYX aAwXGGgMBQAADAdoDA8JIBUQaAwYE2gMQgUAAAAGAAUEAwIBBggJCgsMBwUN CgkPDgYREhMUFRAFFhQTGBcXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:15:27Z</structure-indexed-at> </compound>