Home Other Building Blocks 1-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)piperazine dihydrochloride

1-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)piperazine dihydrochloride

CAS No.:
1171190-56-9
Catalog Number:
AG019NI5
Molecular Formula:
C14H17Cl2F3N4O
Molecular Weight:
385.2122
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Product Description
Catalog Number:
AG019NI5
Chemical Name:
1-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)piperazine dihydrochloride
CAS Number:
1171190-56-9
Molecular Formula:
C14H17Cl2F3N4O
Molecular Weight:
385.2122
MDL Number:
MFCD11505610
IUPAC Name:
5-(piperazin-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;dihydrochloride
InChI:
InChI=1S/C14H15F3N4O.2ClH/c15-14(16,17)11-3-1-2-10(8-11)13-19-12(22-20-13)9-21-6-4-18-5-7-21;;/h1-3,8,18H,4-7,9H2;2*1H
InChI Key:
JDCAWTIVCUJVRL-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)c1noc(n1)CN1CCNCC1)(F)F.Cl.Cl
Properties
Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.073g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
385.212g/mol
Monoisotopic Mass:
384.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties