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Home > Pyridines > 727658-85-7
727658-85-7 | (4-Piperazin-1-yl-phenyl)-pyridin-4-yl-methanone
CAS No: 727658-85-7 Catalog No: AG01EX5Y MDL No:
Product Description
Catalog Number:
AG01EX5Y
Chemical Name:
(4-Piperazin-1-yl-phenyl)-pyridin-4-yl-methanone
CAS Number:
727658-85-7
Molecular Formula:
C16H17N3O
Molecular Weight:
267.3257
IUPAC Name:
(4-piperazin-1-ylphenyl)-pyridin-4-ylmethanone
InChI:
InChI=1S/C16H17N3O/c20-16(14-5-7-17-8-6-14)13-1-3-15(4-2-13)19-11-9-18-10-12-19/h1-8,18H,9-12H2
InChI Key:
NAFDVQJXEURGEX-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)c1ccc(cc1)N1CCNCC1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.332g/mol
Monoisotopic Mass:
267.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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