2-Piperidinone, 3-phenyl-4-(4-(trifluoromethyl)phenyl)-, trans-
Basic information
- CAS
107235-08-5- Standard SMILES
O=C1NCC[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1c1ccccc1- InChIKey
KIRNHVYOKKYVNG-HZPDHXFCSA-N- Molecular formula
- C18H16F3NO
- Average molar mass
- 319.3 g/mol
- Monoisotopic mass
- 319.11839862
Names & identifiers
- Preferred name
- 2-Piperidinone, 3-phenyl-4-(4-(trifluoromethyl)phenyl)-, trans-
- IUPAC
- (3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-one
Names & synonyms
2-Piperidinone, 3-phenyl-4-(4-(trifluoromethyl)phenyl)-, trans-trans-3-Phenyl-4-(4-(trifluoromethyl)phenyl)-2-piperidinone107235-08-5DTXSID30147972RefChem:265492DTXCID8070463(3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-oneSCHEMBL10876719
Database identifiers
- CAS
107235-08-5- PubChem CID
- 3065197
- DTXSID
DTXSID30147972- Nikkaji
- J356.833D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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