| CAS Number | 886767-09-5 |
| Catalog Number | AG00IFC0(AGN-PC-0WC8DX) |
| Chemical Name | 3-(2-Fluoro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 3-(2-fluorophenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-8-17-13(10-18)11-6-4-5-7-12(11)16/h4-7,13,17H,8-10H2,1-3H3 |
| InChI Key | UKJBVZKYQVUUHE-UHFFFAOYSA-N |
| MDL Number | MFCD08685980 |
| Molecular Formula | C15H21FN2O2 |
| Molecular Weight | 280.3378 |
| SMILES | CC(C)(C)OC(=O)N1CCNC(C1)C1=C(F)C=CC=C1 |
| Synonyms | 886767-09-5,
1-BOC-3-(2-FLUOROPHENYL)PIPERAZINE,
tert-butyl 3-(2-fluorophenyl)piperazine-1-carboxylate,
3-(2-FLUORO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
SCHEMBL16640394,
MFCD08685980,
AKOS022177677,
1-N-Boc-3-(2-fluorophenyl)piperazine,
AB46262,
AS-35470,
AX8266441,
X-2499,
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| Complexity | 343 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.343g/mol |
| Monoisotopic Mass | 280.159g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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