| CAS Number | 1171690-17-7 |
| Catalog Number | AG019MPO |
| Chemical Name | 1-[(pyridin-3-yl)methyl]piperidine-3-carboxylic acid dihydrochloride |
| IUPAC Name | 1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C12H16N2O2.2ClH/c15-12(16)11-4-2-6-14(9-11)8-10-3-1-5-13-7-10;;/h1,3,5,7,11H,2,4,6,8-9H2,(H,15,16);2*1H |
| InChI Key | WVZOJODGCYULCM-UHFFFAOYSA-N |
| MDL Number | MFCD06801259 |
| Molecular Formula | C12H18Cl2N2O2 |
| Molecular Weight | 293.1895 |
| SMILES | Cl.Cl.OC(C1CN(CC2=CN=CC=C2)CCC1)=O |
| Synonyms | 1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid dihydrochloride,
887445-00-3,
EN300-36891,
1171690-17-7,
1-(pyridin-3-ylmethyl)piperidine-3-carboxylicaciddihydrochloride,
AC1Q3B4R,
CTK7I9525,
AKOS008090805,
MCULE-9750970789,
TR-043236,
1-(pyridin-3-yl)methylpiperidine-3-carboxylic acid dihydrochloride,
1-(Pyridin-3-ylmethyl)piperidine-3-carboxylic acid di hydrochloride,
1-(Pyridin-3-ylmethyl)piperidine-3-carboxylic aciddihydrochloride,
|
| Complexity | 245 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number