Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(F)cc2Cl)CC1- InChIKey
KXUAEXQDPXEJIU-UHFFFAOYSA-N- Molecular formula
- C15H20ClFN2O2
- Average molar mass
- 314.78 g/mol
Names & identifiers
- Preferred name
- 4-(2-Chloro-4-fluoro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-(2-chloro-4-fluorophenyl)piperazine-1-carboxylate
Names & synonyms
4-(2-Chloro-4-fluoro-phenyl)-piperazine-1-carboxylic acid tert-butyl esterSCHEMBL3920345KXUAEXQDPXEJIU-UHFFFAOYSA-N847972-19-4DB-339627
Database identifiers
- PubChem CID
- 59793605
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Related reactions
3 records
Compound notes
Loading…