| CAS Number | 1121599-78-7 |
| Catalog Number | AG00HCCX |
| Chemical Name | Tert-butyl 4-(2-fluorophenyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-fluorophenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-7-5-4-6-12(13)16/h4-7H,8-11H2,1-3H3 |
| InChI Key | YMYDATBWMZVJRP-UHFFFAOYSA-N |
| MDL Number | MFCD11872506 |
| Molecular Formula | C15H21FN2O2 |
| Molecular Weight | 280.3378 |
| SMILES | O=C(N1CCN(CC1)c1ccccc1F)OC(C)(C)C |
| Synonyms | tert-butyl 4-(2-fluorophenyl)piperazine-1-carboxylate,
1121599-78-7,
SCHEMBL16111449,
MFCD11872506,
ZINC75248747,
AKOS013099967,
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| 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 |
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Certificate of Analysis
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