7-(1-benzylpiperidin-4-yl)-7,9-dihydro-8H-purin-8-one
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Basic information
- Standard SMILES
O=c1[nH]c2ncncc2n1C1CCN(Cc2ccccc2)CC1- InChIKey
SPGFYUIKTBUEQA-UHFFFAOYSA-N- Molecular formula
- C17H19N5O
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.15896025
Names & identifiers
- Preferred name
- 7-(1-benzylpiperidin-4-yl)-7,9-dihydro-8H-purin-8-one
- IUPAC
- 7-(1-benzylpiperidin-4-yl)-9H-purin-8-one
Names & synonyms
SCHEMBL1198078SPGFYUIKTBUEQA-UHFFFAOYSA-N7-(1-benzylpiperidin-4-yl)-7,9-dihydro-8H-purin-8-one
Database identifiers
- PubChem CID
- 22293261
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 417
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Related reactions
12 records
Compound notes
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