Basic information
- Standard SMILES
NCCN1CCC(Nc2nc3cncnc3n2Cc2ccc(F)cc2)CC1- InChIKey
WNUYYKPOOLIGSK-UHFFFAOYSA-N- Molecular formula
- C19H24FN7
- Average molar mass
- 369.4 g/mol
Names & identifiers
- Preferred name
- N-[1-(2-aminoethyl)-4-piperidinyl]-9-[(4-fluorophenyl)methyl]-9H-purin-8-amine
- IUPAC
- N-[1-(2-aminoethyl)piperidin-4-yl]-9-[(4-fluorophenyl)methyl]purin-8-amine
Names & synonyms
SCHEMBL9564897WNUYYKPOOLIGSK-UHFFFAOYSA-NN-[1-(2 aminoethyl)-4-piperidinyl]-9-[(4-fluorophenyl)methyl]-9H-purin-8-amineN-[1-(2-aminoethyl)-4-piperidinyl]-9-[(4-fluorophenyl)methyl]-9H-purin-8-amine
Database identifiers
- PubChem CID
- 19785318
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 451
Related reactions
18 records
Compound notes
Loading…