| CAS Number | 2031259-22-8 |
| Catalog Number | AG01BUOX |
| Chemical Name | tert-butyl 1-(prop-2-yn-1-yl)piperidine-2-carboxylate |
| IUPAC Name | tert-butyl 1-prop-2-ynylpiperidine-2-carboxylate |
| InChI | InChI=1S/C13H21NO2/c1-5-9-14-10-7-6-8-11(14)12(15)16-13(2,3)4/h1,11H,6-10H2,2-4H3 |
| InChI Key | BGOHBGLMYVDXTO-UHFFFAOYSA-N |
| MDL Number | MFCD30345361 |
| Molecular Formula | C13H21NO2 |
| Molecular Weight | 223.3113 |
| SMILES | CC(OC(C1N(CC#C)CCCC1)=O)(C)C |
| Synonyms | tert-butyl 1-(prop-2-yn-1-yl)piperidine-2-carboxylate,
2031259-22-8,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.316g/mol |
| Monoisotopic Mass | 223.157g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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