| CAS Number | 1268520-82-6 |
| Catalog Number | AG000TCL(AGN-PC-0WCJAL) |
| Chemical Name | (3R,4S)-rel-Benzyl 4-amino-3-fluoropiperidine-1-carboxylate |
| IUPAC Name | benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate |
| InChI | InChI=1S/C13H17FN2O2/c14-11-8-16(7-6-12(11)15)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15H2/t11-,12+/m1/s1 |
| InChI Key | SYVUWEZGXXHYPH-NEPJUHHUSA-N |
| MDL Number | MFCD23106431 |
| Molecular Formula | C13H17FN2O2 |
| Molecular Weight | 252.2847 |
| SMILES | N[C@@H]1CCN(C[C@@H]1F)C(=O)OCC1=CC=CC=C1 |
| Synonyms | 1268520-82-6,
(3R,4S)-rel-Benzyl 4-amino-3-fluoropiperidine-1-carboxylate,
cis-1-cbz-4-amino-3-fluoropiperidine,
rel-(3R,4S)-Benzyl 4-amino-3-fluoropiperidine-1-carboxylate,
AK170814,
SCHEMBL3330073,
ZINC79035464,
AKOS025290886,
FCH3132773,
SB10839,
KS-0000044F,
AX8326783,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.289g/mol |
| Monoisotopic Mass | 252.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number