| CAS Number | 1067718-07-3 |
| Catalog Number | AG0096VL(AGN-PC-0WQYCH) |
| Chemical Name | Tert-butyl 4-(3-nitropyridin-4-ylamino)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[(3-nitropyridin-4-yl)amino]piperidine-1-carboxylate |
| InChI | InChI=1S/C15H22N4O4/c1-15(2,3)23-14(20)18-8-5-11(6-9-18)17-12-4-7-16-10-13(12)19(21)22/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,16,17) |
| InChI Key | YOJSYAFBZQFPEF-UHFFFAOYSA-N |
| MDL Number | MFCD11974918 |
| Molecular Formula | C15H22N4O4 |
| Molecular Weight | 322.3596 |
| SMILES | O=C(N1CCC(CC1)Nc1ccncc1[N+](=O)[O-])OC(C)(C)C |
| Synonyms | 1067718-07-3,
tert-butyl 4-(3-nitropyridin-4-ylamino)piperidine-1-carboxylate,
tert-Butyl 4-((3-nitropyridin-4-yl)amino)piperidine-1-carboxylate,
tert-butyl4-(3-nitropyridin-4-ylamino)piperidine-1-carboxylate,
SCHEMBL2250932,
YOJSYAFBZQFPEF-UHFFFAOYSA-N,
MFCD11974918,
ZINC74938155,
AKOS027430572,
4-(3-Nitro-pyridin-4-ylamino)-piperidine-1-carboxylic acid tert-butyl ester,
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| Complexity | 424 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.365g/mol |
| Monoisotopic Mass | 322.164g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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