| CAS Number | 292135-37-6 |
| Catalog Number | AG00I5EY(AGN-PC-0WQZ55) |
| Chemical Name | tert-Butyl 4-(2-{[(tert-butoxy)carbonyl]amino}ethyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate |
| InChI | InChI=1S/C17H32N2O4/c1-16(2,3)22-14(20)18-10-7-13-8-11-19(12-9-13)15(21)23-17(4,5)6/h13H,7-12H2,1-6H3,(H,18,20) |
| InChI Key | VTEHEKRHTCKDFA-UHFFFAOYSA-N |
| MDL Number | MFCD26940371 |
| Molecular Formula | C17H32N2O4 |
| Molecular Weight | 328.4470 |
| SMILES | CC(C)(C)OC(=O)NCCC1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 292135-37-6,
tert-Butyl 4-(2-{[(tert-butoxy)carbonyl]amino}ethyl)piperidine-1-carboxylate,
tert-Butyl 4-(2-((tert-butoxycarbonyl)amino)ethyl)piperidine-1-carboxylate,
ZINC97743325,
Y2991,
C17H32N2O4,
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| Complexity | 402 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.236g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.453g/mol |
| Monoisotopic Mass | 328.236g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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