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885274-79-3 | Quinoline,4-(4-piperidinyl)-, 1-oxide
CAS No: 885274-79-3 Catalog No: AG0089GI MDL No:MFCD04115013
Product Description
Catalog Number:
AG0089GI
Chemical Name:
Quinoline,4-(4-piperidinyl)-, 1-oxide
CAS Number:
885274-79-3
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
MDL Number:
MFCD04115013
IUPAC Name:
1-oxido-4-piperidin-4-ylquinolin-1-ium
InChI:
InChI=1S/C14H16N2O/c17-16-10-7-12(11-5-8-15-9-6-11)13-3-1-2-4-14(13)16/h1-4,7,10-11,15H,5-6,8-9H2
InChI Key:
HAPWZHVNHWMCEJ-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(c2c1cccc2)C1CCNCC1
Properties
Complexity:
253
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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