| CAS Number | 1353980-25-2 |
| Catalog Number | AG00HU3P(AGN-PC-0H0Y26) |
| Chemical Name | tert-butyl N-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]carbamate |
| IUPAC Name | tert-butyl N-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]carbamate |
| InChI | InChI=1S/C16H26N4O3/c1-16(2,3)23-15(21)17-10-12-5-7-20(8-6-12)13-9-14(22-4)19-11-18-13/h9,11-12H,5-8,10H2,1-4H3,(H,17,21) |
| InChI Key | YJGCAOUJNAVZND-UHFFFAOYSA-N |
| MDL Number | MFCD21098617 |
| Molecular Formula | C16H26N4O3 |
| Molecular Weight | 322.4026 |
| SMILES | O=C(OC(C)(C)C)NCC1CCN(C2=NC=NC(OC)=C2)CC1 |
| Synonyms | 1353980-25-2,
tert-Butyl ((1-(6-methoxypyrimidin-4-yl)piperidin-4-yl)methyl)carbamate,
[1-(6-Methoxy-pyrimidin-4-yl)-piperidin-4-ylmethyl]-carbamic acid tert-butyl ester,
ZINC79439141,
AKOS024463701,
AK160641,
AJ-123386,
AX8293745,
CS-0061010,
ST24049362,
tert-butyl N-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]carbamate,
[1-(6-Methoxypyrimidin-4-yl)piperidin-4-ylmethyl]carbamic acid tert-butyl ester,
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| Complexity | 378 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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