Home Carboxys 1-Piperazinecarboxylic acid, 4-(4-fluorophenyl)-3-oxo-, 1,1-dimethylethyl ester

1-Piperazinecarboxylic acid, 4-(4-fluorophenyl)-3-oxo-, 1,1-dimethylethyl ester

CAS No.:
1284243-44-2
Catalog Number:
AG000Y2J
Molecular Formula:
C15H19FN2O3
Molecular Weight:
294.3214
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Product Description
Catalog Number:
AG000Y2J
Chemical Name:
1-Piperazinecarboxylic acid, 4-(4-fluorophenyl)-3-oxo-, 1,1-dimethylethyl ester
CAS Number:
1284243-44-2
Molecular Formula:
C15H19FN2O3
Molecular Weight:
294.3214
MDL Number:
MFCD16620878
IUPAC Name:
tert-butyl 4-(4-fluorophenyl)-3-oxopiperazine-1-carboxylate
InChI:
InChI=1S/C15H19FN2O3/c1-15(2,3)21-14(20)17-8-9-18(13(19)10-17)12-6-4-11(16)5-7-12/h4-7H,8-10H2,1-3H3
InChI Key:
YWLGMXONVCDCBR-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)N1CCN(CC1=O)C(=O)OC(C)(C)C
Properties
Complexity:
400  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.138g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.326g/mol
Monoisotopic Mass:
294.138g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties