Basic information
- Standard SMILES
CO[C@]1(C#CC(O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2- InChIKey
VBKBVALDNMYEBZ-WTQRLHSKSA-N- Molecular formula
- C23H31NO2
- Average molar mass
- 353.5 g/mol
Names & identifiers
- Preferred name
- 1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenylprop-2-yn-1-ol
- IUPAC
- 1-cyclohexyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]octan-3-yl]-1-phenylprop-2-yn-1-ol
Names & synonyms
CHEMBL200693SCHEMBL5049167VBKBVALDNMYEBZ-WTQRLHSKSA-NBDBM501767181-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenylprop-2-yn-1-ol1-cyclohexyl-3-[(3R)-3-methoxy-1-azabicyclo[2.2.2]oct-3-yl]-1-phenyl-2-propyn-1-ol
Database identifiers
- PubChem CID
- 44406573
- ChEMBL
CHEMBL200693
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 543
Related reactions
2 records
Compound notes
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