| CAS Number | 79199-62-5 |
| Catalog Number | AG00G4ZF(AGN-PC-0OI7KG) |
| Chemical Name | (2S-cis)-4-Methyl-2-piperidinecarboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl (2S,4R)-4-methylpiperidine-2-carboxylate |
| InChI | InChI=1S/C9H17NO2/c1-3-12-9(11)8-6-7(2)4-5-10-8/h7-8,10H,3-6H2,1-2H3/t7-,8+/m1/s1 |
| InChI Key | GHBNOCBWSUHAAA-SFYZADRCSA-N |
| MDL Number | MFCD27977908 |
| Molecular Formula | C9H17NO2 |
| Molecular Weight | 171.2368 |
| SMILES | CCOC(=O)[C@@H]1C[C@@H](CCN1)C |
| Synonyms | 79199-62-5,
Argatroban Related Compound 2,
ZINC34027392,
FT-0668310,
Ethyl (2S,4R)-4-Methylpipecolate,
CID9920488,
Ethyl (2R,4R)-4-methylpiperidine-2-carboxylate,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.24g/mol |
| Monoisotopic Mass | 171.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number