| CAS Number | 946409-40-1 |
| Catalog Number | AG005VZ1(AGN-PC-0WBUEQ) |
| Chemical Name | 1-(Pyridin-3-ylmethyl)piperidine-4-carboxylic acid dihydrochloride |
| IUPAC Name | 1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C12H16N2O2.2ClH/c15-12(16)11-3-6-14(7-4-11)9-10-2-1-5-13-8-10;;/h1-2,5,8,11H,3-4,6-7,9H2,(H,15,16);2*1H |
| InChI Key | FLINLLCJYJQIIY-UHFFFAOYSA-N |
| MDL Number | MFCD06801260 |
| Molecular Formula | C12H18Cl2N2O2 |
| Molecular Weight | 293.1895 |
| SMILES | Cl.Cl.OC(C1CCN(CC2=CN=CC=C2)CC1)=O |
| Synonyms | 946409-40-1,
1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid dihydrochloride,
1-(PYRID-3-YLMETHYL)PIPERIDINE-4-CARBOXYLIC ACID DIHYDROCHLORIDE,
AC1Q3B4V,
CTK5H6907,
DTXSID00655352,
3992AF,
AKOS008090943,
MCULE-4665039840,
RTR-043252,
DB-079989,
TR-043252,
FT-0737111,
EN300-37204,
I04-10262,
F1909-1592,
1-[(pyridin-3-yl)methyl]piperidine-4-carboxylic acid dihydrochloride,
1-[(Pyridin-3-yl)methyl]piperidine-4-carboxylic acid--hydrogen chloride (1/2),
C12H18Cl2N2O2,
1- piperidine-4-carboxylicaciddihydrochloride,
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| Complexity | 237 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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