3-Hydroxy-3-phenyl-8-azabicyclo[3.2.1]octane-8-carbonitrile
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Basic information
- Standard SMILES
N#CN1C2CCC1CC(O)(c1ccccc1)C2- InChIKey
RELZOWQNWDBVKE-UHFFFAOYSA-N- Molecular formula
- C14H16N2O
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.12626314
Names & identifiers
- Preferred name
- 3-Hydroxy-3-phenyl-8-azabicyclo[3.2.1]octane-8-carbonitrile
- IUPAC
- 3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octane-8-carbonitrile
Names & synonyms
MLS003171108NSC351882CHEMBL2360442NSC359401NSC-351882NSC-359401SMR001875016
Database identifiers
- PubChem CID
- 336741
- ChEMBL
CHEMBL2360442
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 325
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Compound notes
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