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Home > Pyridines > 1197551-22-6
1197551-22-6 | 6-{[4-(pyridin-4-yl)piperazin-1-yl]methyl}-2H-1,3-benzodioxol-5-ol
CAS No: 1197551-22-6 Catalog No: AG01AKDF MDL No:MFCD13578203
Product Description
Catalog Number:
AG01AKDF
Chemical Name:
6-{[4-(pyridin-4-yl)piperazin-1-yl]methyl}-2H-1,3-benzodioxol-5-ol
CAS Number:
1197551-22-6
Molecular Formula:
C17H19N3O3
Molecular Weight:
313.3511
MDL Number:
MFCD13578203
IUPAC Name:
6-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-benzodioxol-5-ol
InChI:
InChI=1S/C17H19N3O3/c21-15-10-17-16(22-12-23-17)9-13(15)11-19-5-7-20(8-6-19)14-1-3-18-4-2-14/h1-4,9-10,21H,5-8,11-12H2
InChI Key:
IHLFDUOBIXJQDH-UHFFFAOYSA-N
SMILES:
Oc1cc2OCOc2cc1CN1CCN(CC1)c1ccncc1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.357g/mol
Monoisotopic Mass:
313.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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