| CAS Number | 1016493-10-9 |
| Catalog Number | AG019TMH |
| Chemical Name | 6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile |
| IUPAC Name | 6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile |
| InChI | InChI=1S/C16H16N4/c17-12-14-6-7-16(18-13-14)20-10-8-19(9-11-20)15-4-2-1-3-5-15/h1-7,13H,8-11H2 |
| InChI Key | GKNMFMFFNXWZJA-UHFFFAOYSA-N |
| MDL Number | MFCD09931172 |
| Molecular Formula | C16H16N4 |
| Molecular Weight | 264.3250 |
| SMILES | N#CC1=CN=C(N2CCN(C3=CC=CC=C3)CC2)C=C1 |
| Synonyms | 6-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile,
1016493-10-9,
ZINC12537260,
AKOS000171428,
MCULE-2210454654,
NE52042,
EN300-98222,
Z219096462,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.332g/mol |
| Monoisotopic Mass | 264.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number