| CAS Number | 74798-56-4 |
| Catalog Number | AG01AIRO(AGN-PC-0A9Z56) |
| Chemical Name | 1-Benzyl-2-methylpiperidin-3-one |
| IUPAC Name | 1-benzyl-2-methylpiperidin-3-one |
| InChI | InChI=1S/C13H17NO/c1-11-13(15)8-5-9-14(11)10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3 |
| InChI Key | WYHHURGFXKJVKA-UHFFFAOYSA-N |
| MDL Number | MFCD19381893 |
| Molecular Formula | C13H17NO |
| Molecular Weight | 203.2802 |
| SMILES | CC1C(=O)CCCN1CC1=CC=CC=C1 |
| Synonyms | 1-benzyl-2-methylpiperidin-3-one,
74798-56-4,
1-Benzyl-2-methylpiperidine-3-one,
AKOS015842754,
AK00741162,
EN300-78871,
W-206507,
2-methylpiperidin-3-one,
1-benzyl-2-methyl-piperidin-4-one,
4720-65-4,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.285g/mol |
| Monoisotopic Mass | 203.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number