| CAS Number | 1266339-10-9 |
| Catalog Number | AG000T0L(AGN-PC-0WD8M7) |
| Chemical Name | 1-Piperidinecarboxylic acid, 3-fluoro-4-oxo-, 1,1-dimethylethyl ester, (3R)- |
| IUPAC Name | tert-butyl (3R)-3-fluoro-4-oxopiperidine-1-carboxylate |
| InChI | InChI=1S/C10H16FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7H,4-6H2,1-3H3/t7-/m1/s1 |
| InChI Key | JZNWQLLPLOQGOI-SSDOTTSWSA-N |
| MDL Number | MFCD28010938 |
| Molecular Formula | C10H16FNO3 |
| Molecular Weight | 217.2373 |
| SMILES | O=C(N1C[C@@H](F)C(CC1)=O)OC(C)(C)C |
| Synonyms | 1266339-10-9,
tert-butyl (3R)-3-fluoro-4-oxopiperidine-1-carboxylate,
SCHEMBL18897507,
KS-000004PR,
MFCD28010938,
ZINC32915008,
AKOS030238411,
SB12772,
1-Boc-(3R)-3-fluoro-4-oxopiperidine,
AJ-85703,
AS-53307,
CJ-18009,
CS-0048574,
1-(tert-Butoxycarbonyl)-3beta-fluoropiperidine-4-one,
t-Butyl (3R)-3-fluoro-4-oxopiperidine-1-carboxylate,
tert-butyl(3R)-3-fluoro-4-oxopiperidine-1-carboxylate,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.24g/mol |
| Monoisotopic Mass | 217.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number