| CAS Number | 1334499-78-3 |
| Catalog Number | AG00HSXG(AGN-PC-0WCYOA) |
| Chemical Name | Cis-1-tert-butyl 4-methyl 3-methylpiperidine-1,4-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 4-O-methyl (3R,4R)-3-methylpiperidine-1,4-dicarboxylate |
| InChI | InChI=1S/C13H23NO4/c1-9-8-14(12(16)18-13(2,3)4)7-6-10(9)11(15)17-5/h9-10H,6-8H2,1-5H3/t9-,10+/m0/s1 |
| InChI Key | ZFAWFFHKIMXTPI-VHSXEESVSA-N |
| MDL Number | MFCD20261477 |
| Molecular Formula | C13H23NO4 |
| Molecular Weight | 257.3260 |
| SMILES | COC(=O)[C@@H]1CCN(C[C@@H]1C)C(=O)OC(C)(C)C |
| Synonyms | 1334499-78-3,
CIS-N-BOC-3-METHYLPIPERIDINE-4-CARBOXYLIC ACID METHYL ESTER,
cis-1-tert-Butyl 4-methyl 3-methylpiperidine-1,4-dicarboxylate,
MFCD20261477,
ZINC91691847,
AS-38132,
AX8266901,
CS-0079183,
X-1819,
(3R,4R)-1-tert-Butyl 4-methyl 3-methylpiperidine-1,4-dicarboxylate,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.33g/mol |
| Monoisotopic Mass | 257.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
Certificate of Analysis
Lot Number