| CAS Number | 1420827-78-6 |
| Catalog Number | AG00HWB2(AGN-PC-0WG40D) |
| Chemical Name | Tert-Butyl (1-(Pyrimidin-2-Yl)Piperidin-3-Yl)Carbamate |
| IUPAC Name | tert-butyl N-(1-pyrimidin-2-ylpiperidin-3-yl)carbamate |
| InChI | InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)17-11-6-4-9-18(10-11)12-15-7-5-8-16-12/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,17,19) |
| InChI Key | AUZGJSAKHPUNKZ-UHFFFAOYSA-N |
| MDL Number | MFCD21106208 |
| Molecular Formula | C14H22N4O2 |
| Molecular Weight | 278.3501 |
| SMILES | CC(C)(C)OC(=O)NC1CCCN(C1)c1ncccn1 |
| Synonyms | tert-butyl (1-(pyrimidin-2-yl)piperidin-3-yl)carbamate,
1420827-78-6,
tert-butyl N-(1-pyrimidin-2-ylpiperidin-3-yl)carbamate,
MFCD21106208,
AKOS013099623,
CS-0038177,
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| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.356g/mol |
| Monoisotopic Mass | 278.174g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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