| CAS Number | 344313-16-2 |
| Catalog Number | AG018L77(AGN-PC-0WBQ87) |
| Chemical Name | 1-(5-Amino-2-methoxyphenyl)piperidin-2-one |
| IUPAC Name | 1-(5-amino-2-methoxyphenyl)piperidin-2-one |
| InChI | InChI=1S/C12H16N2O2/c1-16-11-6-5-9(13)8-10(11)14-7-3-2-4-12(14)15/h5-6,8H,2-4,7,13H2,1H3 |
| InChI Key | ICONSLWIKCFACJ-UHFFFAOYSA-N |
| MDL Number | MFCD09743295 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | COC1=C(N2C(=O)CCCC2)C=C(N)C=C1 |
| Synonyms | 1-(5-amino-2-methoxyphenyl)piperidin-2-one,
344313-16-2,
AC1Q44WB,
CTK7A6629,
ZINC11920104,
AKOS000169176,
MCULE-4798629731,
NE30455,
SC-30417,
EN300-39522,
VU0421590-2,
F2148-0031,
Z1245580347,
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| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number