1-Piperazinecarboxylic acid, 4-(2-cyanophenyl)-, 1,1-dimethylethyl ester


Chemical Name: 1-Piperazinecarboxylic acid, 4-(2-cyanophenyl)-, 1,1-dimethylethyl ester
CAS Number: 179250-25-0
Product Number: AG0026WB(AGN-PC-01VDG6)
Synonyms:
MDL No:
Molecular Formula: C16H21N3O2
Molecular Weight: 287.3568

Identification/Properties


Computed Properties
Molecular Weight:
287.363g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
287.163g/mol
Monoisotopic Mass:
287.163g/mol
Topological Polar Surface Area:
56.6A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
413
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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