| CAS Number | 1361118-66-2 |
| Catalog Number | AG01FFUA(AGN-PC-0WC8MI) |
| Chemical Name | tert-Butyl 4-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate |
| InChI | InChI=1S/C15H22ClN3O2/c1-10-17-12(9-13(16)18-10)11-5-7-19(8-6-11)14(20)21-15(2,3)4/h9,11H,5-8H2,1-4H3 |
| InChI Key | WHNSUCDCHCPAPB-UHFFFAOYSA-N |
| MDL Number | MFCD21332848 |
| Molecular Formula | C15H22ClN3O2 |
| Molecular Weight | 311.8071 |
| SMILES | ClC1=CC(=NC(=N1)C)C1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 1361118-66-2,
4-(6-Chloro-2-methyl-pyrimidin-4-yl)-piperidine-1-carboxylic acid tert-butyl ester,
tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate,
SCHEMBL15641234,
MFCD21332848,
ZINC74941204,
AKOS015920634,
4-(6-Chloro-2-methyl-pyrimidin-4-yl)-piperidine-1-carboxylic acid t-butyl ester,
tert-Butyl 4-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate, AldrichCPR,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.81g/mol |
| Monoisotopic Mass | 311.14g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number