| CAS Number | 2031258-61-2 |
| Catalog Number | AG01BUNN |
| Chemical Name | tert-butyl n-[1-(prop-2-yn-1-yl)piperidin-4-yl]carbamate |
| IUPAC Name | tert-butyl N-(1-prop-2-ynylpiperidin-4-yl)carbamate |
| InChI | InChI=1S/C13H22N2O2/c1-5-8-15-9-6-11(7-10-15)14-12(16)17-13(2,3)4/h1,11H,6-10H2,2-4H3,(H,14,16) |
| InChI Key | LIFADCULPALWIZ-UHFFFAOYSA-N |
| MDL Number | MFCD30345344 |
| Molecular Formula | C13H22N2O2 |
| Molecular Weight | 238.3260 |
| SMILES | O=C(OC(C)(C)C)NC1CCN(CC#C)CC1 |
| Synonyms | tert-butyl N-[1-(prop-2-yn-1-yl)piperidin-4-yl]carbamate,
2031258-61-2,
ZINC80010308,
AKOS034510173,
Z648901090,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.331g/mol |
| Monoisotopic Mass | 238.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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