| CAS Number | 1196151-56-0 |
| Catalog Number | AG01B9SS |
| Chemical Name | tert-Butyl 4-oxo-3-propylpiperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-oxo-3-propylpiperidine-1-carboxylate |
| InChI | InChI=1S/C13H23NO3/c1-5-6-10-9-14(8-7-11(10)15)12(16)17-13(2,3)4/h10H,5-9H2,1-4H3 |
| InChI Key | NKFIUBSEBGYGEF-UHFFFAOYSA-N |
| MDL Number | MFCD08669337 |
| Molecular Formula | C13H23NO3 |
| Molecular Weight | 241.3266 |
| SMILES | O=C1C(CCC)CN(C(OC(C)(C)C)=O)CC1 |
| Synonyms | 277298-22-3,
TERT-BUTYL 4-OXO-3-PROPYLPIPERIDINE-1-CARBOXYLATE,
tert-Butyl 3-propyl-4-oxopiperidine-1-carboxylate,
1-BOC-3-N-PROPYL-PIPERIDIN-4-ONE,
1-Piperidinecarboxylicacid, 4-oxo-3-propyl-, 1,1-dimethylethyl ester, (3R)-,
1196151-56-0,
1-boc-3-propylpiperidin-4-one,
SCHEMBL16825886,
CTK4G0186,
DTXSID00725221,
AKOS027378985,
AB45847,
1-BOC-3-PROPYL-PIPERIDIN-4-ONE,
SC-35262,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.331g/mol |
| Monoisotopic Mass | 241.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number