| CAS Number | 1955499-71-4 |
| Catalog Number | AG01E7TH |
| Chemical Name | rac-tert-butyl N-{[(2R,4S)-4-methylpiperidin-2-yl]methyl}carbamate |
| IUPAC Name | tert-butyl N-[(4-methylpiperidin-2-yl)methyl]carbamate |
| InChI | InChI=1S/C12H24N2O2/c1-9-5-6-13-10(7-9)8-14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15) |
| InChI Key | KJUJFXNZAAIFQZ-UHFFFAOYSA-N |
| MDL Number | MFCD30012451 |
| Molecular Formula | C12H24N2O2 |
| Molecular Weight | 228.3312 |
| SMILES | C[C@H]1C[C@@H](CNC(OC(C)(C)C)=O)NCC1 |
| Synonyms | 1781903-24-9,
tert-Butyl ((4-methylpiperidin-2-yl)methyl)carbamate,
Rac-tert-butyl N-{[(2R,4S)-4-methylpiperidin-2-yl]methyl}carbamate,
1955499-71-4,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.336g/mol |
| Monoisotopic Mass | 228.184g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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