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Home > Imidazoles > 876711-45-4
876711-45-4 | 4-(1-methyl-1H-imidazol-2-yl)piperidin-4-ol
CAS No: 876711-45-4 Catalog No: AG01BUBA MDL No:MFCD07801105
Product Description
Catalog Number:
AG01BUBA
Chemical Name:
4-(1-methyl-1H-imidazol-2-yl)piperidin-4-ol
CAS Number:
876711-45-4
Molecular Formula:
C9H15N3O
Molecular Weight:
181.2349
MDL Number:
MFCD07801105
IUPAC Name:
4-(1-methylimidazol-2-yl)piperidin-4-ol
InChI:
InChI=1S/C9H15N3O/c1-12-7-6-11-8(12)9(13)2-4-10-5-3-9/h6-7,10,13H,2-5H2,1H3
InChI Key:
KDHIXBKIBCKZQU-UHFFFAOYSA-N
SMILES:
Cn1ccnc1C1(O)CCNCC1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.122g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.239g/mol
Monoisotopic Mass:
181.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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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