Basic information
- CAS
4177-23-5- Standard SMILES
O=C1C2CCCC1C(N1CCN(c3ccccc3)CC1)CC2c1ccccc1- InChIKey
DGSWQMPUSXBITN-UHFFFAOYSA-N- Molecular formula
- C25H30N2O
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.23581359
Names & identifiers
- Preferred name
- Bicyclo(3.3.1)nonan-9-one, 2-phenyl-4-(4-phenyl-1-piperazinyl)-
- IUPAC
- 2-phenyl-4-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one
Names & synonyms
BRN 08978002-Phenyl-4-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-one4177-23-5Bicyclo(3.3.1)nonan-9-one, 2-phenyl-4-(4-phenyl-1-piperazinyl)-5-23-02-00227 (Beilstein Handbook Reference)RefChem:329367DTXSID309619732-phenyl-4-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-one
Database identifiers
- CAS
4177-23-5- PubChem CID
- 199441
- DTXSID
DTXSID30961973
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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