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126653-00-7 | Isoquinoline, 1-(1-piperazinyl)-
CAS No: 126653-00-7 Catalog No: AG000T1W MDL No:MFCD06738843
Product Description
Catalog Number:
AG000T1W
Chemical Name:
Isoquinoline, 1-(1-piperazinyl)-
CAS Number:
126653-00-7
Molecular Formula:
C13H15N3
Molecular Weight:
213.2783
MDL Number:
MFCD06738843
IUPAC Name:
1-piperazin-1-ylisoquinoline
InChI:
InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-15-13(12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
InChI Key:
IDFYLSABDUMICK-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1nccc2c1cccc2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.284g/mol
Monoisotopic Mass:
213.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Design and synthesis of orally-active and selective azaindane 5HT2c agonist for the treatment of obesity. | Bioorganic & medicinal chemistry letters 20100101 |
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