Tert-butyl 1'-[2-(trifluoromethyl)pyrimidin-4-yl]-4,4'-bipiperidine-1-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(C2CCN(c3ccnc(C(F)(F)F)n3)CC2)CC1- InChIKey
CSHVQUUDLOXMNC-UHFFFAOYSA-N- Molecular formula
- C20H29F3N4O2
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.22426067
Names & identifiers
- Preferred name
- Tert-butyl 1'-[2-(trifluoromethyl)pyrimidin-4-yl]-4,4'-bipiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]piperidine-1-carboxylate
Names & synonyms
tert-butyl 1'-[2-(trifluoromethyl)pyrimidin-4-yl]-4,4'-bipiperidine-1-carboxylateSCHEMBL3486205
Database identifiers
- PubChem CID
- 59178917
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 551
Related reactions
2 records
Compound notes
Loading…