| CAS Number | 1016712-41-6 |
| Catalog Number | AG019V0E |
| Chemical Name | 1-{2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-4-yl}methanamine |
| IUPAC Name | [2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-4-yl]methanamine |
| InChI | InChI=1S/C16H19FN4/c17-14-1-3-15(4-2-14)20-7-9-21(10-8-20)16-11-13(12-18)5-6-19-16/h1-6,11H,7-10,12,18H2 |
| InChI Key | HUCNEUGAGIGFEA-UHFFFAOYSA-N |
| MDL Number | MFCD09806399 |
| Molecular Formula | C16H19FN4 |
| Molecular Weight | 286.3473 |
| SMILES | NCC1=CC(N2CCN(C3=CC=C(F)C=C3)CC2)=NC=C1 |
| Synonyms | {2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-4-yl}methanamine,
1016712-41-6,
AC1Q53UA,
CTK7E6765,
ZINC19281460,
AKOS000156432,
MCULE-7164495111,
NE26294,
EN300-43378,
AB00999779-01,
Z444311628,
(2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-4-yl)methanamine,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.354g/mol |
| Monoisotopic Mass | 286.159g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number