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198543-01-0 | 2-(1,2,5-Trimethyl-piperidin-4-ylamino)-butan-1-ol
CAS No: 198543-01-0 Catalog No: AG01F94C MDL No:
Product Description
Catalog Number:
AG01F94C
Chemical Name:
2-(1,2,5-Trimethyl-piperidin-4-ylamino)-butan-1-ol
CAS Number:
198543-01-0
Molecular Formula:
C12H26N2O
Molecular Weight:
214.3476
IUPAC Name:
2-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-1-ol
InChI:
InChI=1S/C12H26N2O/c1-5-11(8-15)13-12-6-10(3)14(4)7-9(12)2/h9-13,15H,5-8H2,1-4H3
InChI Key:
DIQREXVGAWIWBR-UHFFFAOYSA-N
SMILES:
CCC(NC1CC(C)N(CC1C)C)CO
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.205g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.353g/mol
Monoisotopic Mass:
214.205g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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