| CAS Number | 1353955-36-8 |
| Catalog Number | AG009I24(AGN-PC-0H0Y0M) |
| Chemical Name | tert-butyl 3-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxylate |
| InChI | InChI=1S/C15H24N4O3/c1-15(2,3)22-14(20)19-7-5-6-11(9-19)18-12-8-13(21-4)17-10-16-12/h8,10-11H,5-7,9H2,1-4H3,(H,16,17,18) |
| InChI Key | FJGSNUICSINITM-UHFFFAOYSA-N |
| MDL Number | MFCD21098551 |
| Molecular Formula | C15H24N4O3 |
| Molecular Weight | 308.3761 |
| SMILES | COc1cc(NC2CCCN(C2)C(=O)OC(C)(C)C)ncn1 |
| Synonyms | 1353955-36-8,
tert-Butyl 3-((6-methoxypyrimidin-4-yl)amino)piperidine-1-carboxylate,
3-(6-Methoxy-pyrimidin-4-ylamino)-piperidine-1-carboxylic acid tert-butyl ester,
AKOS024463722,
AK160004,
AX8293228,
CS-0060936,
ST24049748,
3-(6-Methoxypyrimidin-4-ylamino)piperidine-1-carboxylic acid tert-butyl ester,
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| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.382g/mol |
| Monoisotopic Mass | 308.185g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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