Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@H](CNc2nc(Cl)ncc2F)C1- InChIKey
BKRQKJJWYYPIOD-SNVBAGLBSA-N- Molecular formula
- C15H22ClFN4O2
- Average molar mass
- 344.81 g/mol
Names & identifiers
- Preferred name
- (R)-tert-butyl 3-((2-chloro-5-fluoropyrimidin-4-ylamino)methyl)-piperidine-1-carboxylate
- IUPAC
- tert-butyl (3R)-3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2126478BKRQKJJWYYPIOD-SNVBAGLBSA-N(R)-tert-butyl 3-((2-chloro-5-fluoropyrimidin-4-ylamino)methyl)-piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 86667415
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Related reactions
3 records
Compound notes
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