| CAS Number | 1817003-33-0 |
| Catalog Number | AG01C4C1 |
| Chemical Name | Methyl 1-benzyl-4-cyanopiperidine-4-carboxylate |
| IUPAC Name | methyl 1-benzyl-4-cyanopiperidine-4-carboxylate |
| InChI | InChI=1S/C15H18N2O2/c1-19-14(18)15(12-16)7-9-17(10-8-15)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3 |
| InChI Key | FMLQYZRPYWPTDC-UHFFFAOYSA-N |
| MDL Number | MFCD29763092 |
| Molecular Formula | C15H18N2O2 |
| Molecular Weight | 258.3156 |
| SMILES | C(C1=CC=CC=C1)N1CCC(CC1)(C(=O)OC)C#N |
| Synonyms | methyl 1-benzyl-4-cyanopiperidine-4-carboxylate,
1817003-33-0,
SCHEMBL17144620,
AKOS033836990,
ZINC328579397,
Z2265516753,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.321g/mol |
| Monoisotopic Mass | 258.137g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number