Home Other Building Blocks N-(1-benzyl-4-cyanopiperidin-4-yl)-2,2,2-trifluoroacetamide, trifluoroacetic acid

N-(1-benzyl-4-cyanopiperidin-4-yl)-2,2,2-trifluoroacetamide, trifluoroacetic acid

CAS No.:
1432682-00-2
Catalog Number:
AG01A50P
Molecular Formula:
C17H17F6N3O3
Molecular Weight:
425.3256
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Product Description
Catalog Number:
AG01A50P
Chemical Name:
N-(1-benzyl-4-cyanopiperidin-4-yl)-2,2,2-trifluoroacetamide, trifluoroacetic acid
CAS Number:
1432682-00-2
Molecular Formula:
C17H17F6N3O3
Molecular Weight:
425.3256
MDL Number:
MFCD24369201
IUPAC Name:
N-(1-benzyl-4-cyanopiperidin-4-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C15H16F3N3O.C2HF3O2/c16-15(17,18)13(22)20-14(11-19)6-8-21(9-7-14)10-12-4-2-1-3-5-12;3-2(4,5)1(6)7/h1-5H,6-10H2,(H,20,22);(H,6,7)
InChI Key:
CBNPKIBJMTWOSQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.N#CC1(CCN(CC1)Cc1ccccc1)NC(=O)C(F)(F)F
Properties
Complexity:
524  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.117g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
425.331g/mol
Monoisotopic Mass:
425.117g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties