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1020277-43-3 | Isoquinoline, 6-(4-piperidinyl)-
CAS No: 1020277-43-3 Catalog No: AG0006DT MDL No:
Product Description
Catalog Number:
AG0006DT
Chemical Name:
Isoquinoline, 6-(4-piperidinyl)-
CAS Number:
1020277-43-3
Molecular Formula:
C14H16N2
Molecular Weight:
212.2902
IUPAC Name:
6-piperidin-4-ylisoquinoline
InChI:
InChI=1S/C14H16N2/c1-2-14-10-16-8-5-13(14)9-12(1)11-3-6-15-7-4-11/h1-2,5,8-11,15H,3-4,6-7H2
InChI Key:
WKJJFCLGSAPOMH-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)c1ccc2c(c1)ccnc2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.296g/mol
Monoisotopic Mass:
212.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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