Basic information
- CAS
4177-27-9- Standard SMILES
OC1C2CCCC1C(N1CCN(c3ccccc3)CC1)CC2- InChIKey
FBRYMVSDJFAIMA-UHFFFAOYSA-N- Molecular formula
- C19H28N2O
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.22016352
Names & identifiers
- Preferred name
- Bicyclo(3.3.1)nonan-9-ol, 2-(4-phenyl-1-piperazinyl)-
- IUPAC
- 2-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-ol
- English name
- 2-(4-Phenyl-1-piperazinyl)bicyclo[3.3.1]nonan-9-ol
- Molecular formula
- C19H28N2O
- Molecular weight
- 300.44
Names & synonyms
4177-27-9BRN 06164552-(4-Phenyl-1-piperazinyl)bicyclo(3.3.1)nonan-9-olBICYCLO(3.3.1)NONAN-9-OL, 2-(4-PHENYL-1-PIPERAZINYL)-5-23-01-00577 (Beilstein Handbook Reference)2-(4-Phenyl-1-piperazinyl)bicyclo[3.3.1]nonan-9-olRefChem:3293572-(4-phenylpiperazin-1-yl)bicyclo[3.3.1]nonan-9-olDTXSID90961974Bicyclo[3.3.1]nonan-9-ol, 2-(4-phenyl-1-piperazinyl)-
Database identifiers
- CAS
4177-27-9- PubChem CID
- 20144
- DTXSID
DTXSID90961974- Nikkaji
- J78.947J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Boiling point
- 460.3 · 460.3±35.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- pka
- 14.81 · 14.81±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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