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89721-29-9

89721-29-9 | Isoquinoline, 1-phenyl-3-(4-piperidinyloxy)-

CAS No: 89721-29-9 Catalog No: AG00431L MDL No:

Product Description

Catalog Number:
AG00431L
Chemical Name:
Isoquinoline, 1-phenyl-3-(4-piperidinyloxy)-
CAS Number:
89721-29-9
Molecular Formula:
C20H20N2O
Molecular Weight:
304.3856
IUPAC Name:
1-phenyl-3-piperidin-4-yloxyisoquinoline
InChI:
InChI=1S/C20H20N2O/c1-2-6-15(7-3-1)20-18-9-5-4-8-16(18)14-19(22-20)23-17-10-12-21-13-11-17/h1-9,14,17,21H,10-13H2
InChI Key:
YSULYFMKGDPIOY-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)Oc1cc2ccccc2c(n1)c1ccccc1

Properties

Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.158g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
304.393g/mol
Monoisotopic Mass:
304.158g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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