680223-90-9
3-(PIPERIDIN-4-YL)ISOQUINOLIN-1(2H)-ONE HYDROCHLORIDE
Name3-(PIPERIDIN-4-YL)ISOQUINOLIN-1(2H)-ONE HYDROCHLORIDE
FormulaC14 H16 N2 O . Cl H
1Identification
【Name】
3-(PIPERIDIN-4-YL)ISOQUINOLIN-1(2H)-ONE HYDROCHLORIDE
【CAS】
【MDL】
MFCD13152415
【English Synonyms】
【Formula】
C14 H16 N2 O . Cl H
【MolWeight】
264.754
【Inchi】
InChI=1S/C14H16N2O.ClH/c17-14-12-4-2-1-3-11(12)9-13(16-14)10-5-7-15-8-6-10;/h1-4,9-10,15H,5-8H2,(H,16,17);1H
【InChIKey】
InChIKey=BYSNLBSAOFVXIV-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)cc([nH]c2=O)C3CCNCC3.Cl
【MOL File】
3-(PIPERIDIN-4-YL)IS….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(PIPERIDIN-4-YL)ISOQUINOLIN-1(2H)-ONE HYDROCHLORIDE.cml