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89721-31-3 | Isoquinoline, 3-[(1-methyl-3-piperidinyl)oxy]-1-phenyl-
CAS No: 89721-31-3 Catalog No: AG008818 MDL No:
Product Description
Catalog Number:
AG008818
Chemical Name:
Isoquinoline, 3-[(1-methyl-3-piperidinyl)oxy]-1-phenyl-
CAS Number:
89721-31-3
Molecular Formula:
C21H22N2O
Molecular Weight:
318.4122
IUPAC Name:
3-(1-methylpiperidin-3-yl)oxy-1-phenylisoquinoline
InChI:
InChI=1S/C21H22N2O/c1-23-13-7-11-18(15-23)24-20-14-17-10-5-6-12-19(17)21(22-20)16-8-3-2-4-9-16/h2-6,8-10,12,14,18H,7,11,13,15H2,1H3
InChI Key:
FDXMLERPAWBDBM-UHFFFAOYSA-N
SMILES:
CN1CCCC(C1)Oc1cc2ccccc2c(n1)c1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.42g/mol
Monoisotopic Mass:
318.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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