| CAS Number | 1353989-74-8 |
| Catalog Number | AG009I8K(AGN-PC-0H0Y0W) |
| Chemical Name | tert-Butyl ((1-(6-methoxypyrimidin-4-yl)piperidin-2-yl)methyl)carbamate |
| IUPAC Name | tert-butyl N-[[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methyl]carbamate |
| InChI | InChI=1S/C16H26N4O3/c1-16(2,3)23-15(21)17-10-12-7-5-6-8-20(12)13-9-14(22-4)19-11-18-13/h9,11-12H,5-8,10H2,1-4H3,(H,17,21) |
| InChI Key | IFQIGVMEEOMYHG-UHFFFAOYSA-N |
| MDL Number | MFCD21098560 |
| Molecular Formula | C16H26N4O3 |
| Molecular Weight | 322.4026 |
| SMILES | COc1cc(ncn1)N1CCCCC1CNC(=O)OC(C)(C)C |
| Synonyms | 1353989-74-8,
tert-Butyl ((1-(6-methoxypyrimidin-4-yl)piperidin-2-yl)methyl)carbamate,
[1-(6-Methoxy-pyrimidin-4-yl)-piperidin-2-ylmethyl]-carbamic acid tert-butyl ester,
AKOS024463702,
AK160639,
AX8293743,
CS-0061008,
ST24049364,
[1-(6-Methoxypyrimidin-4-yl)piperidin-2-ylmethyl]carbamic acid tert-butyl ester,
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| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.2g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.409g/mol |
| Monoisotopic Mass | 322.2g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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