| CAS Number | 203047-34-1 |
| Catalog Number | AG00CFN9(AGN-PC-0QTEYS) |
| Chemical Name | Tert-butyl 4-(3-fluorobenzyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[(3-fluorophenyl)methyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-9-7-18(8-10-19)12-13-5-4-6-14(17)11-13/h4-6,11H,7-10,12H2,1-3H3 |
| InChI Key | PZTARVOTAOMDPS-UHFFFAOYSA-N |
| MDL Number | MFCD09953068 |
| Molecular Formula | C16H23FN2O2 |
| Molecular Weight | 294.3644 |
| SMILES | Fc1cccc(c1)CN1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 203047-34-1,
TERT-BUTYL 4-(3-FLUOROBENZYL)PIPERAZINE-1-CARBOXYLATE,
tert-butyl 4-[(3-fluorophenyl)methyl]piperazine-1-carboxylate,
SCHEMBL8536087,
CTK8H5094,
DTXSID90627386,
AB3397,
MFCD09953068,
ZINC77253442,
AKOS023248882,
TERT-BUTYL4- PIPERAZINE-1-CARBOXYLATE,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.37g/mol |
| Monoisotopic Mass | 294.174g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number