| CAS Number | 1271024-76-0 |
| Catalog Number | AG00IL17(AGN-PC-0WNPXB) |
| Chemical Name | tert-butyl N-[(3S,6R)-6-methylpiperidin-3-yl]carbamate |
| IUPAC Name | tert-butyl N-[(3S,6R)-6-methylpiperidin-3-yl]carbamate |
| InChI | InChI=1S/C11H22N2O2/c1-8-5-6-9(7-12-8)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9+/m1/s1 |
| InChI Key | NNMBHCRWGGSRBE-BDAKNGLRSA-N |
| MDL Number | MFCD24617775 |
| Molecular Formula | C11H22N2O2 |
| Molecular Weight | 214.3046 |
| SMILES | C[C@@H]1CC[C@@H](CN1)NC(OC(C)(C)C)=O |
| Synonyms | tert-Butyl N-[(3S,6R)-6-methylpiperidin-3-yl]carbamate,
1271024-76-0,
ZINC32914997,
AJ-85700,
CS-0047988,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.309g/mol |
| Monoisotopic Mass | 214.168g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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