| CAS Number | 1249815-81-3 |
| Catalog Number | AG01C57W |
| Chemical Name | tert-Butyl 3-(piperidin-4-yl)propanoate |
| IUPAC Name | tert-butyl 3-piperidin-4-ylpropanoate |
| InChI | InChI=1S/C12H23NO2/c1-12(2,3)15-11(14)5-4-10-6-8-13-9-7-10/h10,13H,4-9H2,1-3H3 |
| InChI Key | XIFYQVRZWPGXAU-UHFFFAOYSA-N |
| MDL Number | MFCD16693002 |
| Molecular Formula | C12H23NO2 |
| Molecular Weight | 213.3165 |
| SMILES | O=C(OC(C)(C)C)CCC1CCNCC1 |
| Synonyms | tert-butyl 3-(piperidin-4-yl)propanoate,
1249815-81-3,
SCHEMBL1201466,
ZINC50928456,
AKOS011498848,
A1-10443,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.321g/mol |
| Monoisotopic Mass | 213.173g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number