| CAS Number | 683274-61-5 |
| Catalog Number | AG00FE1J(AGN-PC-0TS3FO) |
| Chemical Name | tert-Butyl 4-(5-cyanopyridin-2-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(5-cyanopyridin-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-5-4-12(10-16)11-17-13/h4-5,11H,6-9H2,1-3H3 |
| InChI Key | CUKYCLGXUNOINC-UHFFFAOYSA-N |
| MDL Number | MFCD03407524 |
| Molecular Formula | C15H20N4O2 |
| Molecular Weight | 288.3449 |
| SMILES | CC(OC(N1CCN(C2=NC=C(C#N)C=C2)CC1)=O)(C)C |
| Synonyms | Tert-butyl 4-(5-cyanopyridin-2-yl)piperazine-1-carboxylate,
683274-61-5,
AC1MBX23,
SCHEMBL3554489,
CTK7C8236,
CUKYCLGXUNOINC-UHFFFAOYSA-N,
8097AE,
MFCD03407524,
ZINC20286888,
AKOS008082179,
FS-5693,
MCULE-9409508732,
DA-04315,
FT-0721201,
t-butyl-4-(5-cyanopyridin-2-yl)piperazin-1-carboxylate,
Z219420848,
4-(5-Cyano-2-pyridyl)piperazine-1-carboxylic acid tert-butyl ester,
C15H20N4O2,
CID2757956,
5-Cyano-2-[4-butoxycarbonyl(piperazino)]pyridine,
|
| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.351g/mol |
| Monoisotopic Mass | 288.159g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number