| CAS Number | 1016705-45-5 |
| Catalog Number | AG019WK4(AGN-PC-0WOTNZ) |
| Chemical Name | 1-(3,3-Dimethylbutanoyl)piperidin-4-one |
| IUPAC Name | 1-(3,3-dimethylbutanoyl)piperidin-4-one |
| InChI | InChI=1S/C11H19NO2/c1-11(2,3)8-10(14)12-6-4-9(13)5-7-12/h4-8H2,1-3H3 |
| InChI Key | SCAXEUDMNMTWHW-UHFFFAOYSA-N |
| MDL Number | MFCD09929542 |
| Molecular Formula | C11H19NO2 |
| Molecular Weight | 197.2741 |
| SMILES | CC(CC(N1CCC(=O)CC1)=O)(C)C |
| Synonyms | 1-(3,3-dimethylbutanoyl)piperidin-4-one,
1016705-45-5,
AC1Q1MGT,
1-(3,3-dimethyl-1-oxobutyl)-4-Piperidinone,
SCHEMBL10259599,
CTK7G2721,
ZINC19427439,
AKOS000172903,
MCULE-4420810913,
NE40422,
FT-0748495,
EN300-52211,
AB01003820-01,
Z278522926,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.278g/mol |
| Monoisotopic Mass | 197.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number