Basic information
- CAS
3764-99-6- Standard SMILES
CC1(C)CC(=O)CC(c2ccc(Br)cc2)N1- InChIKey
ASKCRCOFADPBOS-UHFFFAOYSA-N- Molecular formula
- C13H16BrNO
- Average molar mass
- 282.18 g/mol
- Monoisotopic mass
- 281.04153
Names & identifiers
- Preferred name
- 6-(4-Bromophenyl)-2,2-dimethylpiperidin-4-one
- IUPAC
- 6-(4-bromophenyl)-2,2-dimethylpiperidin-4-one
Names & synonyms
3764-99-66-(4-bromophenyl)-2,2-dimethylpiperidin-4-oneDTXSID10958689RefChem:1073693DTXCID701386587BRN 15300246-(p-Bromophenyl)-2,2-dimethyl-4-piperidone4-Piperidone, 6-(p-bromophenyl)-2,2-dimethyl-6-(4-Bromophenyl)-2,2-dimethyl-4-piperidinone
Database identifiers
- CAS
3764-99-6- PubChem CID
- 199145
- DTXSID
DTXSID10958689- Nikkaji
- J83.626E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…