888226-98-0
6-(4-METHYLPIPERAZIN-1-YL)-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE
Name6-(4-METHYLPIPERAZIN-1-YL)-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE
1Identification
【Name】
6-(4-METHYLPIPERAZIN-1-YL)-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE
【CAS】
【MDL】
MFCD11042697
【English Synonyms】
【Formula】
C14 H19 N3 O
【MolWeight】
245.324
【Inchi】
InChI=1S/C14H19N3O/c1-16-6-8-17(9-7-16)12-2-3-13-11(10-12)4-5-15-14(13)18/h2-3,10H,4-9H2,1H3,(H,15,18)
【InChIKey】
InChIKey=GTJYFOUTBGWKRK-UHFFFAOYSA-N
【SMILES】
CN1CCN(CC1)c2ccc3c(c2)CCNC3=O
【MOL File】
6-(4-METHYLPIPERAZIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(4-METHYLPIPERAZIN-1-YL)-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE.cml