| CAS Number | 1283441-69-9 |
| Catalog Number | AG019SDR |
| Chemical Name | methyl 1-(2-cyanopyridin-4-yl)piperidine-4-carboxylate |
| IUPAC Name | methyl 1-(2-cyanopyridin-4-yl)piperidine-4-carboxylate |
| InChI | InChI=1S/C13H15N3O2/c1-18-13(17)10-3-6-16(7-4-10)12-2-5-15-11(8-12)9-14/h2,5,8,10H,3-4,6-7H2,1H3 |
| InChI Key | FHOGTIYTHZRNRK-UHFFFAOYSA-N |
| MDL Number | MFCD18041772 |
| Molecular Formula | C13H15N3O2 |
| Molecular Weight | 245.2771 |
| SMILES | COC(C1CCN(C2=CC(C#N)=NC=C2)CC1)=O |
| Synonyms | Methyl 1-(2-cyanopyridin-4-yl)piperidine-4-carboxylate,
1283441-69-9,
EN300-93268,
ZINC61813009,
AKOS012222181,
MCULE-8244005922,
NE22480,
ABA-5905701,
AJ-114023,
Z1268152300,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.282g/mol |
| Monoisotopic Mass | 245.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number