Basic information
- CAS
39757-59-0- Standard SMILES
O=C(c1ccc(F)cc1)C1CC1CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1- InChIKey
TZFMOHFBFVNALJ-UHFFFAOYSA-N- Molecular formula
- C23H23F4NO2
- Average molar mass
- 421.4 g/mol
- Monoisotopic mass
- 421.16649162
Names & identifiers
- Preferred name
- 4-Piperidinol, 1-(2-(p-fluorobenzoyl)cyclopropyl)methyl-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-
- IUPAC
- (4-fluorophenyl)-[2-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]cyclopropyl]methanone
- English name
- 1-[2-(4-Fluorobenzoyl)cyclopropyl]methyl-4-[3-(trifluoromethyl)phenyl]-4-piperidinol
- Molecular formula
- C23H23F4NO2
- Molecular weight
- 421.43
Names & synonyms
BRN 155704239757-59-01-(2-(p-Fluorobenzoyl)cyclopropyl)methyl-4-(m-trifluoromethylphenyl)-4-piperidinol5-21-02-00407 (Beilstein Handbook Reference)4-Piperidinol, 1-(2-(p-fluorobenzoyl)cyclopropyl)methyl-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-RefChem:295709(4-fluorophenyl)[2-({4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}methyl)cyclopropyl]methanoneDTXSID309603451-[2-(4-Fluorobenzoyl)cyclopropyl]methyl-4-[3-(trifluoromethyl)phenyl]-4-piperidinol
Database identifiers
- CAS
39757-59-0- PubChem CID
- 217865
- DTXSID
DTXSID30960345- Nikkaji
- J50.696F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 609
Physicochemical properties
- Boiling point
- 512.085 · 512.085±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.867 · 13.867±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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