HuagongsheHuagongshe Chemistry Print Report · For research reference only
Tert-butyl 3-(piperidin-1-ylmethyl)azetidine-1-carboxylate
tert-butyl 3-(piperidin-1-ylMethyl)azetidine-1-carboxylate · 1-Azetidinecarboxylic acid, 3-(1-piperidinylmethyl)-, 1,1-dimethylethyl ester

Identifiers & Physical Properties
| CAS No. | 1012784-23-4 |
|---|---|
| Molecular formula | C14H26N2O2 |
| Average molar mass | 254.37 g/mol |
| Monoisotopic mass | 254.19942808 g/mol |
| SMILES | CC(C)(C)OC(=O)N1CC(CN2CCCCC2)C1 |
| InChIKey | CYJKKSQIDUBLFA-UHFFFAOYSA-N |
| PubChem CID | 59519082 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 32.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 287 |
| Boiling point | 332.3±15.0 °C(Predicted) |
| Density | 1.058±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 9.50±0.10(Predicted) |