Basic information
- CAS
36524-94-4- Standard SMILES
O=C1C2CCCC1C(N1CCC(O)(c3ccccc3)CC1)CC2- InChIKey
OLDOFCOCMRKGFP-UHFFFAOYSA-N- Molecular formula
- C20H27NO2
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.2041791
Names & identifiers
- Preferred name
- 2-(4-Hydroxy-4-phenyl-1-piperidinyl)bicyclo(3.3.1)nonan-9-one
- IUPAC
- 2-(4-hydroxy-4-phenylpiperidin-1-yl)bicyclo[3.3.1]nonan-9-one
- English name
- 2-(4-Hydroxy-4-phenyl-1-piperidinyl)bicyclo[3.3.1]nonan-9-one
- Molecular formula
- C20H27NO2
- Molecular weight
- 313.43
Names & synonyms
36524-94-4BRN 15499022-(4-Hydroxy-4-phenyl-1-piperidinyl)bicyclo(3.3.1)nonan-9-one2-(4-hydroxy-4-phenylpiperidin-1-yl)bicyclo[3.3.1]nonan-9-oneBICYCLO(3.3.1)NONAN-9-ONE, 2-(4-HYDROXY-4-PHENYL-1-PIPERIDINYL)-DTXSID009578282-(4-Hydroxy-4-phenyl-1-piperidinyl)bicyclo[3.3.1]nonan-9-oneBicyclo[3.3.1]nonan-9-one, 2-(4-hydroxy-4-phenyl-1-piperidinyl)-
Database identifiers
- CAS
36524-94-4- PubChem CID
- 37473
- DTXSID
DTXSID00957828- Nikkaji
- J78.949F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Boiling point
- 492.7 · 492.7±45.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- pka
- 14.03 · 14.03±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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