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70558-13-3 | 2-(Piperazin-1-yl);-1-(piperidin-1-yl);ethanone
CAS No: 70558-13-3 Catalog No: AG005I1E MDL No:MFCD01075233
Product Description
Catalog Number:
AG005I1E
Chemical Name:
2-(Piperazin-1-yl);-1-(piperidin-1-yl);ethanone
CAS Number:
70558-13-3
Molecular Formula:
C11H21N3O
Molecular Weight:
211.3039
MDL Number:
MFCD01075233
IUPAC Name:
2-piperazin-1-yl-1-piperidin-1-ylethanone
InChI:
InChI=1S/C11H21N3O/c15-11(14-6-2-1-3-7-14)10-13-8-4-12-5-9-13/h12H,1-10H2
InChI Key:
PCHXUJGLAFXWIW-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)CN1CCNCC1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.168g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.309g/mol
Monoisotopic Mass:
211.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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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