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918490-45-6 | 6-(3-piperidinyloxy)Isoquinoline
CAS No: 918490-45-6 Catalog No: AG00H51N MDL No:
Product Description
Catalog Number:
AG00H51N
Chemical Name:
6-(3-piperidinyloxy)Isoquinoline
CAS Number:
918490-45-6
IUPAC Name:
6-piperidin-3-yloxyisoquinoline
InChI:
InChI=1S/C14H16N2O/c1-2-14(10-15-6-1)17-13-4-3-12-9-16-7-5-11(12)8-13/h3-5,7-9,14-15H,1-2,6,10H2
InChI Key:
NVJUVAVYDGABBK-UHFFFAOYSA-N
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Optimisation of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors. | Bioorganic & medicinal chemistry letters 20110215 |
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