| CAS Number | 1315365-05-9 |
| Catalog Number | AG01AJ98 |
| Chemical Name | 3-amino-1-(3-methoxyphenyl)piperidin-2-one |
| IUPAC Name | 3-amino-1-(3-methoxyphenyl)piperidin-2-one |
| InChI | InChI=1S/C12H16N2O2/c1-16-10-5-2-4-9(8-10)14-7-3-6-11(13)12(14)15/h2,4-5,8,11H,3,6-7,13H2,1H3 |
| InChI Key | GNUGZFZZLCOVEF-UHFFFAOYSA-N |
| MDL Number | MFCD19382171 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | COC1=CC(N2C(=O)C(N)CCC2)=CC=C1 |
| Synonyms | 3-amino-1-(3-methoxyphenyl)piperidin-2-one,
1315365-05-9,
AKOS013557607,
NE47443,
EN300-80102,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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