4-Piperidinol, 1-(cyclopropylcarbonyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-
Basic information
- CAS
102071-51-2- Standard SMILES
O=C(C1CC1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1- InChIKey
JJPKLOWPYJIKTE-UHFFFAOYSA-N- Molecular formula
- C16H18F3NO2
- Average molar mass
- 313.31 g/mol
- Monoisotopic mass
- 313.1289633
Names & identifiers
- Preferred name
- 4-Piperidinol, 1-(cyclopropylcarbonyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-
- IUPAC
- cyclopropyl-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
Names & synonyms
1-Cyclopropylcarbonyl-4-(3-trifluoromethylphenyl)-4-piperidinol102071-51-24-Piperidinol, 1-(cyclopropylcarbonyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-RefChem:295755DTXSID20907047Cyclopropyl{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}methanone
Database identifiers
- CAS
102071-51-2- PubChem CID
- 3064337
- DTXSID
DTXSID20907047- Nikkaji
- J83.617F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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