| CAS Number | 1315365-31-1 |
| Catalog Number | AG01AJ6R |
| Chemical Name | 3-Amino-1-(2-fluoro-5-methylphenyl)piperidin-2-one |
| IUPAC Name | 3-amino-1-(2-fluoro-5-methylphenyl)piperidin-2-one |
| InChI | InChI=1S/C12H15FN2O/c1-8-4-5-9(13)11(7-8)15-6-2-3-10(14)12(15)16/h4-5,7,10H,2-3,6,14H2,1H3 |
| InChI Key | OKSWAKJMROVEPW-UHFFFAOYSA-N |
| MDL Number | MFCD19382105 |
| Molecular Formula | C12H15FN2O |
| Molecular Weight | 222.2587 |
| SMILES | CC1=CC(N2C(=O)C(N)CCC2)=C(F)C=C1 |
| Synonyms | 3-amino-1-(2-fluoro-5-methylphenyl)piperidin-2-one,
1315365-31-1,
AKOS013557619,
MCULE-5584305640,
NE53655,
EN300-79912,
Z1269702267,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.263g/mol |
| Monoisotopic Mass | 222.117g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number