| CAS Number | 951626-85-0 |
| Catalog Number | AG00IISF |
| Chemical Name | tert-Butyl 4-(3-fluorophenyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(3-fluorophenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-7-17(8-10-18)13-6-4-5-12(16)11-13/h4-6,11H,7-10H2,1-3H3 |
| InChI Key | WMPYUXJWLYVDFI-UHFFFAOYSA-N |
| MDL Number | MFCD09817414 |
| Molecular Formula | C15H21FN2O2 |
| Molecular Weight | 280.3378 |
| SMILES | Fc1cccc(c1)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 4-(3-fluorophenyl)piperazine-1-carboxylate,
951626-85-0,
SCHEMBL2386747,
WMPYUXJWLYVDFI-UHFFFAOYSA-N,
MFCD09817414,
ZINC19045929,
AKOS022188172,
N-Boc-4-N-(3-fluoro phenyl)piperazine,
AJ-70771,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.343g/mol |
| Monoisotopic Mass | 280.159g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number