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581-45-3 | 1,2,3,4,5,6-HEXAHYDRO-[4,4']BIPYRIDINYL
CAS No: 581-45-3 Catalog No: AG00E9ZG MDL No:MFCD05863877
Product Description
Catalog Number:
AG00E9ZG
Chemical Name:
1,2,3,4,5,6-HEXAHYDRO-[4,4']BIPYRIDINYL
CAS Number:
581-45-3
Molecular Formula:
C10H14N2
Molecular Weight:
162.2316
MDL Number:
MFCD05863877
IUPAC Name:
4-piperidin-4-ylpyridine
InChI:
InChI=1S/C10H14N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-2,5-6,10,12H,3-4,7-8H2
InChI Key:
RGBWBVGQZFJTEO-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)c1ccncc1
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.116g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.236g/mol
Monoisotopic Mass:
162.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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