| CAS Number | 1315367-04-4 |
| Catalog Number | AG01AJF1 |
| Chemical Name | 5-(hydroxymethyl)-6-(4-methoxyphenyl)-1-methylpiperidin-2-one |
| IUPAC Name | 5-(hydroxymethyl)-6-(4-methoxyphenyl)-1-methylpiperidin-2-one |
| InChI | InChI=1S/C14H19NO3/c1-15-13(17)8-5-11(9-16)14(15)10-3-6-12(18-2)7-4-10/h3-4,6-7,11,14,16H,5,8-9H2,1-2H3 |
| InChI Key | MKOORXKZEHGBSM-UHFFFAOYSA-N |
| MDL Number | MFCD19382259 |
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.3056 |
| SMILES | COC1=CC=C(C2N(C)C(=O)CCC2CO)C=C1 |
| Synonyms | 5-(hydroxymethyl)-6-(4-methoxyphenyl)-1-methylpiperidin-2-one,
1315367-04-4,
NE43422,
EN300-80562,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.31g/mol |
| Monoisotopic Mass | 249.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number