Basic information
- CAS
74037-37-9- Standard SMILES
O=C(OC1CN2CCC1CC2)C(O)(c1ccccc1)c1cccnc1- InChIKey
CYPZSLGGUMQHIK-UHFFFAOYSA-N- Molecular formula
- C20H22N2O3
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.16304257
Names & identifiers
- Preferred name
- 3-Pyridineacetic acid, alpha-hydroxy-alpha-phenyl-, 3-quinuclidinyl ester
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenyl-2-pyridin-3-ylacetate
Names & synonyms
3-Quinuclidinol, 2-hydroxy-2-phenyl-2-(3-pyridyl)acetate (ester)3-Pyridineacetic acid, alpha-hydroxy-alpha-phenyl-, 3-quinuclidinyl ester74037-37-9RefChem:282025DTXSID909953551-Azabicyclo[2.2.2]octan-3-yl hydroxy(phenyl)(pyridin-3-yl)acetate
Database identifiers
- CAS
74037-37-9- PubChem CID
- 3057331
- DTXSID
DTXSID90995355- Nikkaji
- J78.888K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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