| CAS Number | 252577-87-0 |
| Catalog Number | AG00BID1(AGN-PC-0216TS) |
| Chemical Name | 6-(4-aminopiperidin-1-yl)nicotinonitrile |
| IUPAC Name | 6-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile |
| InChI | InChI=1S/C11H14N4/c12-7-9-1-2-11(14-8-9)15-5-3-10(13)4-6-15/h1-2,8,10H,3-6,13H2 |
| InChI Key | YCJMDLIMUBMVRG-UHFFFAOYSA-N |
| MDL Number | MFCD12137464 |
| Molecular Formula | C11H14N4 |
| Molecular Weight | 202.2557 |
| SMILES | N#CC1=CC=C(N2CCC(N)CC2)N=C1 |
| Synonyms | 6-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile,
252577-87-0,
6-(4-aminopiperidin-1-yl)nicotinonitrile,
AC1Q53HQ,
3-Pyridinecarbonitrile, 6-(4-amino-1-piperidinyl)-,
SCHEMBL1347347,
YCJMDLIMUBMVRG-UHFFFAOYSA-N,
ZINC36754950,
AKOS008135502,
MCULE-7081036556,
NE42023,
EN300-66768,
Z1263529614,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.261g/mol |
| Monoisotopic Mass | 202.122g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number