| CAS Number | 1123169-22-1 |
| Catalog Number | AG008VDD(AGN-PC-0WB56P) |
| Chemical Name | 2-(1-piperidinyl)-5-pyrimidinecarbonitrile |
| IUPAC Name | 2-piperidin-1-ylpyrimidine-5-carbonitrile |
| InChI | InChI=1S/C10H12N4/c11-6-9-7-12-10(13-8-9)14-4-2-1-3-5-14/h7-8H,1-5H2 |
| InChI Key | YVRPEQINEJEABK-UHFFFAOYSA-N |
| MDL Number | MFCD12198435 |
| Molecular Formula | C10H12N4 |
| Molecular Weight | 188.2291 |
| SMILES | C1(N2CCCCC2)=NC=C(C=N1)C#N |
| Synonyms | 1123169-22-1,
2-(1-PIPERIDINYL)-5-PYRIMIDINECARBONITRILE,
2-(Piperidin-1-yl)pyrimidine-5-carbonitrile,
DTXSID00653237,
ZX-CM006774,
FCH923562,
MFCD12198435,
ZINC29865940,
AKOS006345071,
MCULE-8941990912,
AJ-83819,
Y-7125,
2-(1-piperidinyl)-5-pyrimidinecarbonitrile(SALTDATA,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.234g/mol |
| Monoisotopic Mass | 188.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number