307815 <common-name>N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]pyrimidin-2-amine</common-name> <description>N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]pyrimidin-2-amine belongs to the benzodioxoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C17H20N4O2 and an average molecular weight of 312.37 g/mol.</description> <cas>76167-77-6</cas> <pubchem-id>53458</pubchem-id> <chemical-formula>C17H20N4O2</chemical-formula> <weight>312.37</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">2026-08-29T02:02:34Z</created-at> <updated-at type="dateTime">2026-08-29T02:02:34Z</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(CCC1NC2=NC=CC=N2)CC3=CC4=C(C=C3)OCO4</moldb-smiles> <moldb-formula>C17H20N4O2</moldb-formula> <moldb-inchi>InChI=1S/C17H20N4O2/c1-6-18-17(19-7-1)20-14-4-8-21(9-5-14)11-13-2-3-15-16(10-13)23-12-22-15/h1-3,6-7,10,14H,4-5,8-9,11-12H2,(H,18,19,20)</moldb-inchi> <moldb-inchikey>HSPSMJLOWFXYAL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">312.1586259</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>CHEM303708</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>N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]pyrimidin-2-amine</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>Benzodioxoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0258848</sync-id> <structure-inchikey>HSPSMJLOWFXYAL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000020000000400000000000000000000000200000000000000002000000000000000408000000000000000000000000000000000000000000000000000800000000000000000002080000000008000000000000000000000100000000000020100000000000000000000100010000000000000800000000000010080008000000000000000000000040000000000000004000004000000080000000000000000080000008000000020000000000000000204000000000020010000000000000000000000000220041000010080001000000000012040000000400000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGgAAAIABBgBgAAAAAgIGAGAAAAAC AgcAIAAAAAMGAGAAAAACAgYAYAAAAAICBgBgAAAAAwEHAGgAAAADAgEGQCgA AAADBAdAKAAAAAMDBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBB0AoAAAA AwMGAGAAAAACAgZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAZA aAAAAAMDAQZAaAAAAAMDAQgAKAAAAAMCBgBgAAAAAgIIACgAAAADAgsAAQAB AgACAwADBAAEBQAFBgAGByAHCGgMCAloDAkKaAwKC2gMCwxoDAINAA0OAA4P aAwPEGgMEBFoDBESaAwSE2gMERQgFBUAFRYABQAADAdoDBMOaAwWECBCBAAA AAYABQQDAgEGCAkKCwwHBg8QERITDgUUERAWFRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:15:52Z</structure-indexed-at> </compound>