9-[(4-fluorophenyl)methyl]-8-(4-piperidinyloxy)-9H-purine
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Basic information
- Standard SMILES
Fc1ccc(Cn2c(OC3CCNCC3)nc3cncnc32)cc1- InChIKey
MMEQVUSQPMGHFU-UHFFFAOYSA-N- Molecular formula
- C17H18FN5O
- Average molar mass
- 327.36 g/mol
- Monoisotopic mass
- 327.14953838
Names & identifiers
- Preferred name
- 9-[(4-fluorophenyl)methyl]-8-(4-piperidinyloxy)-9H-purine
- IUPAC
- 9-[(4-fluorophenyl)methyl]-8-piperidin-4-yloxypurine
Names & synonyms
SCHEMBL9564917MMEQVUSQPMGHFU-UHFFFAOYSA-N9-[(4-fluorophenyl)methyl]-8-(4-piperidinyloxy)-9H-purine
Database identifiers
- PubChem CID
- 19785239
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 400
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Related reactions
3 records
Compound notes
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