Tert-butyl 4-(4-((4-chloro-5-(trifluoromethyl)pyrimidin-2-yl)amino)-3-(trifluoromethoxy)phenyl)piperidine-1-carboxylate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(Cl)n3)c(OC(F)(F)F)c2)CC1- InChIKey
RTRDODZSCLGZNF-UHFFFAOYSA-N- Molecular formula
- C22H23ClF6N4O3
- Average molar mass
- 540.9 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(4-((4-chloro-5-(trifluoromethyl)pyrimidin-2-yl)amino)-3-(trifluoromethoxy)phenyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-(trifluoromethoxy)phenyl]piperidine-1-carboxylate
Names & synonyms
tert-butyl 4-(4-((4-chloro-5-(trifluoromethyl)pyrimidin-2-yl)amino)-3-(trifluoromethoxy)phenyl)piperidine-1-carboxylateSCHEMBL12479652tert-Butyl 4-(4-((4-chloro-5-(trifluoromethyl)pyrimidin-2-yl)-amino)-3-(trifluoromethoxy)phenyl)piperidine-1-carboxylatetert-Butyl 4-(4-((4-chloro-5-(trifluoromethyl)pyrimidin-2-yl)amino)-3-(trifluoromethoxyl)phenyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 86675845
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 743
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Related reactions
4 records
Compound notes
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