Basic information
- CAS
30463-21-9- Standard SMILES
OC1(c2ccc(F)cc2)C2CCCC1C(N1CCN(c3ccccc3)CC1)CC2- InChIKey
ODHOCRCAANCENA-UHFFFAOYSA-N- Molecular formula
- C25H31FN2O
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.24204178
Names & identifiers
- Preferred name
- Bicyclo(3.3.1)nonan-9-ol, 9-(4-fluorophenyl)-2-(4-phenyl-1-piperazinyl)-
- IUPAC
- 9-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-ol
Names & synonyms
BRN 05805159-(4-Fluorophenyl)-2-(4-phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-ol30463-21-95-23-02-00078 (Beilstein Handbook Reference)Bicyclo(3.3.1)nonan-9-ol, 9-(4-fluorophenyl)-2-(4-phenyl-1-piperazinyl)-RefChem:329358DTXSID409527969-(4-Fluorophenyl)-2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-ol
Database identifiers
- CAS
30463-21-9- PubChem CID
- 207669
- DTXSID
DTXSID40952796
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…