| CAS Number | 1341792-17-3 |
| Catalog Number | AG01BUV1 |
| Chemical Name | 4-(Piperazin-1-yl)pyridine-2-carbonitrile |
| IUPAC Name | 4-piperazin-1-ylpyridine-2-carbonitrile |
| InChI | InChI=1S/C10H12N4/c11-8-9-7-10(1-2-13-9)14-5-3-12-4-6-14/h1-2,7,12H,3-6H2 |
| InChI Key | VIWUDIPXIBTLLX-UHFFFAOYSA-N |
| MDL Number | MFCD17251895 |
| Molecular Formula | C10H12N4 |
| Molecular Weight | 188.2291 |
| SMILES | N#CC1=NC=CC(N2CCNCC2)=C1 |
| Synonyms | 4-(piperazin-1-yl)pyridine-2-carbonitrile,
1341792-17-3,
ZINC61811350,
AKOS012222829,
|
| Complexity | 226 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.234g/mol |
| Monoisotopic Mass | 188.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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