| CAS Number | 353257-72-4 |
| Catalog Number | AG01A0RX |
| Chemical Name | 2-Chloro-3-(4-methylpiperidin-1-yl)quinoxaline |
| IUPAC Name | 2-chloro-3-(4-methylpiperidin-1-yl)quinoxaline |
| InChI | InChI=1S/C14H16ClN3/c1-10-6-8-18(9-7-10)14-13(15)16-11-4-2-3-5-12(11)17-14/h2-5,10H,6-9H2,1H3 |
| InChI Key | VQJCHQNTOMYLCL-UHFFFAOYSA-N |
| MDL Number | MFCD01127815 |
| Molecular Formula | C14H16ClN3 |
| Molecular Weight | 261.7499 |
| SMILES | CC1CCN(C2=C(Cl)N=C3C(C=CC=C3)=N2)CC1 |
| Synonyms | 2-chloro-3-(4-methylpiperidin-1-yl)quinoxaline,
353257-72-4,
AC1MUHXN,
Oprea1_875910,
ZINC5416767,
SBB040999,
AKOS000269713,
MCULE-9004993314,
NE11796,
3-chloro-2-(4-methylpiperidyl)quinoxaline,
CID3666370,
3-chloro-2-(4-methyl-1-piperidyl)quinoxaline,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.753g/mol |
| Monoisotopic Mass | 261.103g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number