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89721-39-1 | Isoquinoline, 1-(2-methylphenyl)-3-(4-piperidinyloxy)-
CAS No: 89721-39-1 Catalog No: AG0042AV MDL No:
Product Description
Catalog Number:
AG0042AV
Chemical Name:
Isoquinoline, 1-(2-methylphenyl)-3-(4-piperidinyloxy)-
CAS Number:
89721-39-1
Molecular Formula:
C21H22N2O
Molecular Weight:
318.4122
IUPAC Name:
1-(2-methylphenyl)-3-piperidin-4-yloxyisoquinoline
InChI:
InChI=1S/C21H22N2O/c1-15-6-2-4-8-18(15)21-19-9-5-3-7-16(19)14-20(23-21)24-17-10-12-22-13-11-17/h2-9,14,17,22H,10-13H2,1H3
InChI Key:
HYYJVRIVPKJDHR-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1nc(OC2CCNCC2)cc2c1cccc2
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:
1
Isotope Atom Count:
0
Molecular Weight:
318.42g/mol
Monoisotopic Mass:
318.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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