Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2cccc(C(=O)NC(C)(C)C(F)(F)F)c2)CC1- InChIKey
XPIMDHKRQDLQHO-UHFFFAOYSA-N- Molecular formula
- C21H30F3N3O3
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.22392631
Names & identifiers
- Preferred name
- tert-Butyl 4-(3-(1,1,1-trifluoro-2-methylpropan-2-ylcarbamoyl)benzyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[[3-[(1,1,1-trifluoro-2-methylpropan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxylate
Names & synonyms
tert-Butyl 4-(3-(1,1,1-trifluoro-2-methylpropan-2-ylcarbamoyl)benzyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 86635136
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 609
Related reactions
4 records
Compound notes
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