Basic information
- Standard SMILES
CCOC(=O)N1CC2CC(C1)C(O)(c1cncc(-c3ccccc3)c1)C2- InChIKey
ASIYQBGIWINFEZ-UHFFFAOYSA-N- Molecular formula
- C21H24N2O3
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.17869263
Names & identifiers
- Preferred name
- Ethyl 6-hydroxy-6-(5-phenyl-3-pyridinyl)-3-azabicyclo[3.2.1]octane-3-carboxylate
- IUPAC
- ethyl 6-hydroxy-6-(5-phenyl-3-pyridinyl)-3-azabicyclo[3.2.1]octane-3-carboxylate
Names & synonyms
SCHEMBL2079782ASIYQBGIWINFEZ-UHFFFAOYSA-NEthyl 6-hydroxy-6-(5-phenyl-3-pyridinyl)-3-azabicyclo[3.2.1]octane-3-carboxylate
Database identifiers
- PubChem CID
- 57486356
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 507
Related reactions
3 records
Compound notes
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