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17433-19-1 | Methanone, 1,1'-(1,4-piperazinediyl)bis[1-(3-pyridinyl)-
CAS No: 17433-19-1 Catalog No: AG001ZM7 MDL No:
Product Description
Catalog Number:
AG001ZM7
Chemical Name:
Methanone, 1,1'-(1,4-piperazinediyl)bis[1-(3-pyridinyl)-
CAS Number:
17433-19-1
Molecular Formula:
C16H16N4O2
Molecular Weight:
296.3238
IUPAC Name:
[4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
InChI:
InChI=1S/C16H16N4O2/c21-15(13-3-1-5-17-11-13)19-7-9-20(10-8-19)16(22)14-4-2-6-18-12-14/h1-6,11-12H,7-10H2
InChI Key:
DZUBOXRMAQRSPL-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)N1CCN(CC1)C(=O)c1cccnc1
EC Number:
241-457-8
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.33g/mol
Monoisotopic Mass:
296.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Conformation of N,N'-bis(3-pyridylformyl)piperazine and spontaneous formation of a saturated quadruple stranded metallohelicate. | Dalton transactions (Cambridge, England : 2003) 20100821 |
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