16785-32-3
2-(4-(2-PYRIDYL)PIPERAZINYL)-3',4',5'-TRIMETHOXYACETOPHENONE DIHYDROCHLORIDE
Name2-(4-(2-PYRIDYL)PIPERAZINYL)-3',4',5'-TRIMETHOXYACETOPHENONE DIHYDROCHLORIDE
FormulaC20 H25 N3 O4 . 2 Cl H
1Identification
【Name】
2-(4-(2-PYRIDYL)PIPERAZINYL)-3',4',5'-TRIMETHOXYACETOPHENONE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD01673206
【English Synonyms】
【Formula】
C20 H25 N3 O4 . 2 Cl H
【MolWeight】
444.356
【Inchi】
InChI=1S/C20H25N3O4.2ClH/c1-25-17-12-15(13-18(26-2)20(17)27-3)16(24)14-22-8-10-23(11-9-22)19-6-4-5-7-21-19;;/h4-7,12-13H,8-11,14H2,1-3H3;2*1H
【InChIKey】
InChIKey=KLKVUXPRXLNDEX-UHFFFAOYSA-N
【SMILES】
COc1cc(cc(c1OC)OC)C(=O)CN2CCN(CC2)c3ccccn3.Cl.Cl
【MOL File】
2-(4-(2-PYRIDYL)PIPE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-(2-PYRIDYL)PIPERAZINYL)-3',4',5'-TRIMETHOXYACETOPHENONE DIHYDROCHLORIDE.cml