Home Other Building Blocks 3-(piperazin-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-2-one dihydrochloride

3-(piperazin-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-2-one dihydrochloride

CAS No.:
1461706-62-6
Catalog Number:
AG01A6ZX
Molecular Formula:
C11H20Cl2F3N3O
Molecular Weight:
338.1972
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Product Description
Catalog Number:
AG01A6ZX
Chemical Name:
3-(piperazin-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-2-one dihydrochloride
CAS Number:
1461706-62-6
Molecular Formula:
C11H20Cl2F3N3O
Molecular Weight:
338.1972
MDL Number:
MFCD25970496
IUPAC Name:
3-piperazin-1-yl-1-(2,2,2-trifluoroethyl)piperidin-2-one;dihydrochloride
InChI:
InChI=1S/C11H18F3N3O.2ClH/c12-11(13,14)8-17-5-1-2-9(10(17)18)16-6-3-15-4-7-16;;/h9,15H,1-8H2;2*1H
InChI Key:
MTBBQVXOGLRJKE-UHFFFAOYSA-N
SMILES:
O=C1N(CCCC1N1CCNCC1)CC(F)(F)F.Cl.Cl
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.094g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
338.196g/mol
Monoisotopic Mass:
337.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties