Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1CCN(C(=O)C2CCN(c3cccc(C(F)(F)F)n3)CC2)C1- InChIKey
JLGRVSGNHJCGEF-UHFFFAOYSA-N- Molecular formula
- C21H29F3N4O3
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.21917529
Names & identifiers
- IUPAC
- tert-butyl N-[1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamate
Database identifiers
- PubChem CID
- 76614959
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 645
Related reactions
1 records
Compound notes
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