Home Carboxys 1-(4-cyano-2,6-difluorophenyl)piperidine-4-carboxylic acid

1-(4-cyano-2,6-difluorophenyl)piperidine-4-carboxylic acid

CAS No.:
1503657-78-0
Catalog Number:
AG01BB84
Molecular Formula:
C13H12F2N2O2
Molecular Weight:
266.2434
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Product Description
Catalog Number:
AG01BB84
Chemical Name:
1-(4-cyano-2,6-difluorophenyl)piperidine-4-carboxylic acid
CAS Number:
1503657-78-0
Molecular Formula:
C13H12F2N2O2
Molecular Weight:
266.2434
MDL Number:
MFCD25096508
IUPAC Name:
1-(4-cyano-2,6-difluorophenyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C13H12F2N2O2/c14-10-5-8(7-16)6-11(15)12(10)17-3-1-9(2-4-17)13(18)19/h5-6,9H,1-4H2,(H,18,19)
InChI Key:
LFRDPUPHRUIJRO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(c(c1)F)N1CCC(CC1)C(=O)O
Properties
Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.087g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.248g/mol
Monoisotopic Mass:
266.087g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties