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918489-44-8 | Isoquinoline, 5-(1-methylethenyl)-6-(4-piperidinyloxy)-
CAS No: 918489-44-8 Catalog No: AG006Q6B MDL No:
Product Description
Catalog Number:
AG006Q6B
Chemical Name:
Isoquinoline, 5-(1-methylethenyl)-6-(4-piperidinyloxy)-
CAS Number:
918489-44-8
Molecular Formula:
C17H20N2O
Molecular Weight:
268.3535
IUPAC Name:
6-piperidin-4-yloxy-5-prop-1-en-2-ylisoquinoline
InChI:
InChI=1S/C17H20N2O/c1-12(2)17-15-7-10-19-11-13(15)3-4-16(17)20-14-5-8-18-9-6-14/h3-4,7,10-11,14,18H,1,5-6,8-9H2,2H3
InChI Key:
SLFNULROTGEEJC-UHFFFAOYSA-N
SMILES:
CC(=C)c1c(ccc2c1ccnc2)OC1CCNCC1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.36g/mol
Monoisotopic Mass:
268.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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