| CAS Number | 1402249-02-8 |
| Catalog Number | AG001C5Y(AGN-PC-0WACRJ) |
| Chemical Name | 1-Piperidinecarboxylic acid, 4-amino-3-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3R,4S)-rel- |
| IUPAC Name | tert-butyl (3S,4R)-4-amino-3-(hydroxymethyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-5-4-9(12)8(6-13)7-14/h8-9,14H,4-7,12H2,1-3H3/t8-,9-/m1/s1 |
| InChI Key | JJYWLFQRQOTSKA-RKDXNWHRSA-N |
| MDL Number | MFCD21332898 |
| Molecular Formula | C11H22N2O3 |
| Molecular Weight | 230.3040 |
| SMILES | OC[C@H]1CN(C(OC(C)(C)C)=O)CC[C@H]1N |
| Synonyms | cis-1-Boc-4-amino-3-piperidinemethanol,
1402249-02-8,
SCHEMBL12280107,
6562AJ,
ZINC95629646,
AKOS027256839,
C11H22N2O3,
1227487-29-7,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.308g/mol |
| Monoisotopic Mass | 230.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number