| CAS Number | 1211510-61-0 |
| Catalog Number | AG01EHUP |
| Chemical Name | 3,5-Piperidinedicarboxylic acid, 3,5-dimethyl ester, hydrochloride (1:1) |
| IUPAC Name | dimethyl piperidine-3,5-dicarboxylate;hydrochloride |
| InChI | InChI=1S/C9H15NO4.ClH/c1-13-8(11)6-3-7(5-10-4-6)9(12)14-2;/h6-7,10H,3-5H2,1-2H3;1H |
| InChI Key | CKHNNEWIFMNBOM-UHFFFAOYSA-N |
| MDL Number | MFCD18459234 |
| Molecular Formula | C9H16ClNO4 |
| Molecular Weight | 237.6806 |
| SMILES | Cl.N1CC(CC(C1)C(=O)OC)C(=O)OC |
| Synonyms | Dimethyl piperidine-3,5-dicarboxylate hydrochloride,
1211510-61-0,
AKOS015958921,
DIMETHYL PIPERIDINE-3,5-DICARBOXYLATE HCL,
3,5-dimethyl piperidine-3,5-dicarboxylate hydrochloride,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.68g/mol |
| Monoisotopic Mass | 237.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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