| CAS Number | 1247766-88-6 |
| Catalog Number | AG01B8XM |
| Chemical Name | 1-(2-Methylpentyl)piperidin-4-one |
| IUPAC Name | 1-(2-methylpentyl)piperidin-4-one |
| InChI | InChI=1S/C11H21NO/c1-3-4-10(2)9-12-7-5-11(13)6-8-12/h10H,3-9H2,1-2H3 |
| InChI Key | JJUVZKUOTCMFGJ-UHFFFAOYSA-N |
| MDL Number | MFCD16702287 |
| Molecular Formula | C11H21NO |
| Molecular Weight | 183.2905 |
| SMILES | CC(CN1CCC(CC1)=O)CCC |
| Synonyms | 1-(2-methylpentyl)piperidin-4-one,
1247766-88-6,
AKOS011549461,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.295g/mol |
| Monoisotopic Mass | 183.162g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number