| CAS Number | 7501-80-6 |
| Catalog Number | AG01DM87(AGN-PC-0JMFQ3) |
| Chemical Name | Methyl 4-oxo-1-phenylpiperidine-3-carboxylate |
| IUPAC Name | methyl 4-oxo-1-phenylpiperidine-3-carboxylate |
| InChI | InChI=1S/C13H15NO3/c1-17-13(16)11-9-14(8-7-12(11)15)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3 |
| InChI Key | DMDHVVYYWZYVIK-UHFFFAOYSA-N |
| MDL Number | MFCD16316971 |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.2631 |
| NSC Number | 400345 |
| SMILES | COC(C1C(=O)CCN(C2=CC=CC=C2)C1)=O |
| Synonyms | methyl 4-oxo-1-phenylpiperidine-3-carboxylate,
7501-80-6,
NSC400345,
AC1L7Z7Q,
SCHEMBL13920684,
DTXSID60322073,
1-phenyl-3-carbomethoxy-4-piperidone,
NSC-400345,
AM807601,
methyl 4-oxo-1-phenyl-piperidine-3-carboxylate,
Nipecotic acid, 4-oxo-1-phenyl-, methyl ester,
CID343835,
1026-47-7,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.267g/mol |
| Monoisotopic Mass | 233.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number