| CAS Number | 1311313-94-6 |
| Catalog Number | AG01AIOU(AGN-PC-0WO8AA) |
| Chemical Name | 3-(Methylamino)-1-phenylpiperidin-2-one |
| IUPAC Name | 3-(methylamino)-1-phenylpiperidin-2-one |
| InChI | InChI=1S/C12H16N2O/c1-13-11-8-5-9-14(12(11)15)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3 |
| InChI Key | PVGKKAFLCYRCCI-UHFFFAOYSA-N |
| MDL Number | MFCD18917354 |
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.2682 |
| SMILES | CNC1C(=O)N(C2=CC=CC=C2)CCC1 |
| Synonyms | 3-(methylamino)-1-phenylpiperidin-2-one,
1311313-94-6,
AKOS013489634,
MCULE-1904127126,
NE20232,
EN300-78601,
Z1212984951,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.273g/mol |
| Monoisotopic Mass | 204.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number