| CAS Number | 1258639-50-7 |
| Catalog Number | AG01ABEX |
| Chemical Name | 1-[(pyridin-4-yl)methyl]piperidine-2-carboxylic acid dihydrochloride |
| IUPAC Name | 1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C12H16N2O2.2ClH/c15-12(16)11-3-1-2-8-14(11)9-10-4-6-13-7-5-10;;/h4-7,11H,1-3,8-9H2,(H,15,16);2*1H |
| InChI Key | WEDRTLCTPMCZPA-UHFFFAOYSA-N |
| MDL Number | MFCD17977142 |
| Molecular Formula | C12H18Cl2N2O2 |
| Molecular Weight | 293.1895 |
| SMILES | Cl.Cl.OC(C1N(CC2=CC=NC=C2)CCCC1)=O |
| Synonyms | 1-(pyridin-4-ylmethyl)piperidine-2-carboxylic acid dihydrochloride,
1258639-50-7,
AC1Q3B4N,
MCULE-4762799063,
NE60061,
EN300-71425,
Z234897579,
1-[(pyridin-4-yl)methyl]piperidine-2-carboxylic acid dihydrochloride,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.188g/mol |
| Monoisotopic Mass | 292.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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