1228095-72-4
(RS)-2-BENZYL-4-(2-HYDROXYMETHYLPIPERIDIN-1-YLMETHYL)-2H-ISOQUINOLIN-1-ONE
Name(RS)-2-BENZYL-4-(2-HYDROXYMETHYLPIPERIDIN-1-YLMETHYL)-2H-ISOQUINOLIN-1-ONE
1Identification
【Name】
(RS)-2-BENZYL-4-(2-HYDROXYMETHYLPIPERIDIN-1-YLMETHYL)-2H-ISOQUINOLIN-1-ONE
【CAS】
【MDL】
MFCD16883047
【English Synonyms】
【Formula】
C23 H26 N2 O2
【MolWeight】
362.47
【Inchi】
InChI=1S/C23H26N2O2/c26-17-20-10-6-7-13-24(20)15-19-16-25(14-18-8-2-1-3-9-18)23(27)22-12-5-4-11-21(19)22/h1-5,8-9,11-12,16,20,26H,6-7,10,13-15,17H2
【InChIKey】
InChIKey=FNPQRRVDUAKKBO-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)Cn2cc(c3ccccc3c2=O)CN4CCCCC4CO
【MOL File】
(RS)-2-BENZYL-4-(2-H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(RS)-2-BENZYL-4-(2-HYDROXYMETHYLPIPERIDIN-1-YLMETHYL)-2H-ISOQUINOLIN-1-ONE.cml