Tert-butyl 4-(4-(4-hydroxy-4'-(trifluoromethyl)biphenyl-3-yl)pyridin-2-yl)piperazine-1-carboxylate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2cc(-c3cc(-c4ccc(C(F)(F)F)cc4)ccc3O)ccn2)CC1- InChIKey
PRIWQFOEXKTYFC-UHFFFAOYSA-N- Molecular formula
- C27H28F3N3O3
- Average molar mass
- 499.5 g/mol
- Monoisotopic mass
- 499.20827625
Names & identifiers
- Preferred name
- Tert-butyl 4-(4-(4-hydroxy-4'-(trifluoromethyl)biphenyl-3-yl)pyridin-2-yl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-2-pyridinyl]piperazine-1-carboxylate
Names & synonyms
tert-butyl 4-(4-(4-hydroxy-4'-(trifluoromethyl)biphenyl-3-yl)pyridin-2-yl)piperazine-1-carboxylateSCHEMBL1690649LAKZCYQSVUAXEJ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 136200880
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 728
Related reactions
4 records
Compound notes
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