(1R*,2R*,5S*,6R*)-8-Benzyl-6-cyano-1-phenyl-8-azabicyclo[3.2.1]octan-2-ol

HCID 69890225
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Basic information

Standard SMILES
N#C[C@@H]1C[C@@]2(c3ccccc3)[C@H](O)CC[C@@H]1N2Cc1ccccc1
InChIKey
URQVYMYGIKQIHB-MJUUVYJYSA-N
Molecular formula
C21H22N2O
Average molar mass
318.4 g/mol

Names & identifiers

Preferred name
(1R*,2R*,5S*,6R*)-8-Benzyl-6-cyano-1-phenyl-8-azabicyclo[3.2.1]octan-2-ol
IUPAC
(1R,2R,5S,6R)-8-benzyl-2-hydroxy-1-phenyl-8-azabicyclo[3.2.1]octane-6-carbonitrile

Names & synonyms

SCHEMBL6764908URQVYMYGIKQIHB-MJUUVYJYSA-N(1R*,2R*,5S*,6R*)-8-Benzyl-6-cyano-1-phenyl-8-azabicyclo[3.2.1]octan-2-ol

Database identifiers

PubChem CID
69890225

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
47.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
24

Related reactions

4 records
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Compound notes

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