Basic information
- CAS
3612-22-4- Standard SMILES
CC1(C)CC(=O)CC(c2cccc(Cl)c2)N1- InChIKey
KKFNBHRKUHKNEC-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO
- Average molar mass
- 237.72 g/mol
- Monoisotopic mass
- 237.0920418
Names & identifiers
- Preferred name
- 6-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinone
- IUPAC
- 6-(3-chlorophenyl)-2,2-dimethylpiperidin-4-one
Names & synonyms
3612-22-46-(3-Chlorophenyl)-2,2-dimethyl-4-piperidinoneRefChem:1073683BRN 15300216-(m-Chlorophenyl)-2,2-dimethyl-4-piperidone6-(3-chlorophenyl)-2,2-dimethylpiperidin-4-one4-Piperidone, 6-(m-chlorophenyl)-2,2-dimethyl-DTXSID30957538
Database identifiers
- CAS
3612-22-4- PubChem CID
- 199012
- DTXSID
DTXSID30957538- Nikkaji
- J83.627C
Properties
Computed structural properties
- XLogP
- 2
- 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
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…