Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Oc2cc(C(O)CO)nc(C(F)(F)F)n2)CC1- InChIKey
WEZCLZCRFGUPFQ-UHFFFAOYSA-N- Molecular formula
- C17H24F3N3O5
- Average molar mass
- 407.4 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-{[6-(1,2-dihydroxyethyl)-2-(trifluoromethyl)pyrimidin-4-yl]oxy}piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[6-(1,2-dihydroxyethyl)-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
Names & synonyms
tert-Butyl 4-{[6-(1,2-dihydroxyethyl)-2-(trifluoromethyl)pyrimidin-4-yl]oxy}piperidine-1-carboxylateSCHEMBL6127362
Database identifiers
- PubChem CID
- 69675751
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 521
Related reactions
2 records
Compound notes
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