| CAS Number | 1260664-87-6 |
| Catalog Number | AG00HITQ(AGN-PC-0WG3T2) |
| Chemical Name | (2S,4S)-4-Fluoro-piperidine-1,2-dicarboxylic acid 1-benzyl ester |
| IUPAC Name | (2S,4S)-4-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid |
| InChI | InChI=1S/C14H16FNO4/c15-11-6-7-16(12(8-11)13(17)18)14(19)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,18)/t11-,12-/m0/s1 |
| InChI Key | OFKSKDKKCNWFIA-RYUDHWBXSA-N |
| MDL Number | MFCD13189898 |
| Molecular Formula | C14H16FNO4 |
| Molecular Weight | 281.2795 |
| SMILES | O=C(N1[C@@H](C(O)=O)C[C@H](F)CC1)OCC2=CC=CC=C2 |
| Synonyms | 1260664-87-6,
(2S,4S)-4-FLUORO-PIPERIDINE-1,2-DICARBOXYLIC ACID 1-BENZYL ESTER,
(2S,4S)-1-((Benzyloxy)carbonyl)-4-fluoropiperidine-2-carboxylic acid,
MFCD13189898,
ZINC91303449,
(2S,4S)-1-(BENZYLOXYCARBONYL)-4-FLUOROPIPERIDINE-2-CARBOXYLIC ACID,
AB69345,
AM805207,
CS-0038573,
(2S,4S)-4-Fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.283g/mol |
| Monoisotopic Mass | 281.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number