| CAS Number | 412357-28-9 |
| Catalog Number | AG01BHF1(AGN-PC-0RQ74O) |
| Chemical Name | 1-Piperidinecarboxylic acid, 4-amino-4-(methoxymethyl)-,1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 4-amino-4-(methoxymethyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-7-5-12(13,6-8-14)9-16-4/h5-9,13H2,1-4H3 |
| InChI Key | XETLBYSKXUXECD-UHFFFAOYSA-N |
| MDL Number | MFCD28631664 |
| Molecular Formula | C12H24N2O3 |
| Molecular Weight | 244.3306 |
| SMILES | COCC1(N)CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 4-amino-4-(methoxymethyl)piperidine-1-carboxylate,
412357-28-9,
SCHEMBL3187327,
ZINC328579167,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.335g/mol |
| Monoisotopic Mass | 244.179g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number