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80712-19-2 | 1-(2,4-DIMETHYLALLOPHANOYL)-4-BENZYL-PIPERAZINE
CAS No: 80712-19-2 Catalog No: AG005JRP MDL No:
Product Description
Catalog Number:
AG005JRP
Chemical Name:
1-(2,4-DIMETHYLALLOPHANOYL)-4-BENZYL-PIPERAZINE
CAS Number:
80712-19-2
Molecular Formula:
C15H22N4O2
Molecular Weight:
290.3608
IUPAC Name:
4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide
InChI:
InChI=1S/C15H22N4O2/c1-16-14(20)17(2)15(21)19-10-8-18(9-11-19)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,20)
InChI Key:
OCFSEWMLCLYKHJ-UHFFFAOYSA-N
SMILES:
CNC(=O)N(C(=O)N1CCN(CC1)Cc1ccccc1)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.174g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.367g/mol
Monoisotopic Mass:
290.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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