HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-{[tert-Butoxy(hydroxy)methylidene]amino}-2-(2-ethoxy-2-oxoethyl)piperidin-1-ium
Zinc04203238 · Zinc04203237 · Zinc04203236 · 3-Boc-amino-2-piperidineacetic acid ethyl ester · Ethyl 2-(3-((tert-butoxycarbonyl)amino)piperidin-2-yl)acetate · 2-Piperidineacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester
![3-{[tert-Butoxy(hydroxy)methylidene]amino}-2-(2-ethoxy-2-oxoethyl)piperidin-1-ium molecular structure](/img/chemical/40479250.png)
Identifiers & Physical Properties
| CAS No. | 215306-00-6 |
|---|---|
| Molecular formula | C14H27N2O4+ |
| Average molar mass | 287.38 g/mol |
| Monoisotopic mass | 287.19708235 g/mol |
| SMILES | CCOC(=O)C[C@H]1[NH2+]CCC[C@H]1NC(=O)OC(C)(C)C |
| InChIKey | JWIFFLUEVLMGJF-GHMZBOCLSA-O |
| PubChem CID | 40479250 |
| DTXSID | DTXSID60944138 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 81.2 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 7 |
| Heavy atoms | 20 |
| Formal charge | 1 |
| Complexity | 339 |