| CAS Number | 170844-68-5 |
| Catalog Number | AG00HZI1(AGN-PC-0Q9T6B) |
| Chemical Name | 3-Pyridin-2-ylmethylpiperidine-3-ethylcarboxylate DiHCl |
| IUPAC Name | ethyl 3-(pyridin-2-ylmethyl)piperidine-3-carboxylate;dihydrochloride |
| InChI | InChI=1S/C14H20N2O2.2ClH/c1-2-18-13(17)14(7-5-8-15-11-14)10-12-6-3-4-9-16-12;;/h3-4,6,9,15H,2,5,7-8,10-11H2,1H3;2*1H |
| InChI Key | POGQTHIQMCYEER-UHFFFAOYSA-N |
| MDL Number | MFCD03840053 |
| Molecular Formula | C14H22Cl2N2O2 |
| Molecular Weight | 321.2427 |
| SMILES | Cl.Cl.CCOC(=O)C1(CC2=NC=CC=C2)CCCNC1 |
| Synonyms | 170844-68-5,
ethyl 3-(pyridin-2-ylmethyl)piperidine-3-carboxylate dihydrochloride,
ETHYL 3-(PYRIDIN-2-YLMETHYL)PIPERIDINE-3-CARBOXYLATE 2HCL,
3-pyridin-2-ylmethylpiperidine-3-ethylcarboxylate dihydrochloride,
ZX-AT029478,
5383AH,
AR1304,
MFCD03840053,
AKOS025404187,
AS-45083,
DA-09374,
FT-0732895,
X-2845,
3-Pyridin-2-ylmethylpiperidine-3-ethylcarboxylate DiHCl,
C14H20N2O2.2HCl,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.242g/mol |
| Monoisotopic Mass | 320.106g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number