| CAS Number | 146337-39-5 |
| Catalog Number | AG00IL9J(AGN-PC-0PYKDG) |
| Chemical Name | 1-Piperidinecarboxylic acid, 4-hydroxy-2,6-dimethyl-, 1,1-dimethylethylester, (2a,4a,6b)-(±)- |
| IUPAC Name | tert-butyl (2R,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-/m1/s1 |
| InChI Key | RNQIRWQBYRTJPG-RKDXNWHRSA-N |
| MDL Number | MFCD31621086 |
| Molecular Formula | C12H23NO3 |
| Molecular Weight | 229.3159 |
| SMILES | OC1C[C@H](N([C@@H](C1)C)C(=O)OC(C)(C)C)C |
| Synonyms | 146337-39-5,
tert-butyl (2r,6r)-rel-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate,
MFCD31621086,
ZINC38868135,
AS-54297,
CS-0052931,
(2R,6R)-rel-1-Boc-2,6-dimethyl-4-hydroxypiperidine,
rel-(2R,6R)-4-Hydroxy-2,6-dimethylpiperidine-1-carboxylic acid tert-butyl ester,
CID10443811,
Tert-butyl (2R,6R)-4-hydroxy-2,6-dimethyl-piperidine-1-carboxylate,
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| 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 |
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Certificate of Analysis
Lot Number