Basic information
- CAS
63977-94-6- Standard SMILES
CN1C2CCC1CN(C(=O)C(CO)(c1ccccc1)C1CCCCC1)C2- InChIKey
YMXKFPLDZGQMDA-UHFFFAOYSA-N- Molecular formula
- C22H32N2O2
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.24637827
Names & identifiers
- Preferred name
- 3,8-Diazabicyclo(3.2.1)octane, 3-((2'-cyclohexyl-3'-hydroxy-2'-phenyl)propionyl)-8-methyl-, (+-)-
- IUPAC
- 2-cyclohexyl-3-hydroxy-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one
Names & synonyms
63977-94-63,8-Diazabicyclo(3.2.1)octane, 3-((2'-cyclohexyl-3'-hydroxy-2'-phenyl)propionyl)-8-methyl-, (+-)-RefChem:2726672-cyclohexyl-3-hydroxy-1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-oneDTXSID80981444
Database identifiers
- CAS
63977-94-6- PubChem CID
- 45827
- DTXSID
DTXSID80981444
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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