| CAS Number | 152491-54-8 |
| Catalog Number | AG00ILF7(AGN-PC-0WNH7I) |
| Chemical Name | tert-Butyl (2R,4r,6S)-rel-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate |
| IUPAC Name | tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate |
| InChI | InChI=1S/C12H23NO3/c1-8-6-10(14)7-9(2)13(8)11(15)16-12(3,4)5/h8-10,14H,6-7H2,1-5H3/t8-,9+,10? |
| InChI Key | RNQIRWQBYRTJPG-ULKQDVFKSA-N |
| MDL Number | MFCD30803979 |
| Molecular Formula | C12H23NO3 |
| Molecular Weight | 229.3159 |
| SMILES | O=C(N1[C@H](C)C[C@H](O)C[C@@H]1C)OC(C)(C)C |
| Synonyms | tert-butyl (2R,4r,6S)-rel-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate,
152491-54-8,
SCHEMBL9311803,
KS-000008PL,
MFCD30803979,
ZINC72206947,
ZINC167585168,
ZINC242648969,
SB23150,
AS-54026,
CS-0048635,
t-Butyl (2R,4R,6S)-rel-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.32g/mol |
| Monoisotopic Mass | 229.168g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number