| CAS Number | 1353946-01-6 |
| Catalog Number | AG009IB1(AGN-PC-0WD6K1) |
| Chemical Name | tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate |
| IUPAC Name | tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate |
| InChI | InChI=1S/C17H28N4O3/c1-6-23-15-11-14(18-12-19-15)21-9-7-13(8-10-21)20(5)16(22)24-17(2,3)4/h11-13H,6-10H2,1-5H3 |
| InChI Key | GUGYEMMIFOQMPY-UHFFFAOYSA-N |
| MDL Number | MFCD21098506 |
| Molecular Formula | C17H28N4O3 |
| Molecular Weight | 336.4292 |
| SMILES | CCOc1cc(ncn1)N1CCC(CC1)N(C)C(=O)OC(C)(C)C |
| Synonyms | 1353946-01-6,
tert-Butyl (1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl)(methyl)carbamate,
[1-(6-Ethoxy-pyrimidin-4-yl)-piperidin-4-yl]-methyl-carbamic acid tert-butyl ester,
ZINC79438695,
AKOS024463551,
AK160033,
AJ-123269,
AX8293253,
CS-0061663,
ST24049441,
[1-(6-Ethoxypyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid tert-butyl ester,
|
| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.216g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.436g/mol |
| Monoisotopic Mass | 336.216g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number