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179250-25-0 | 1-Piperazinecarboxylic acid, 4-(2-cyanophenyl)-, 1,1-dimethylethyl ester
CAS No: 179250-25-0 Catalog No: AG0026WB MDL No:MFCD08275016
Product Description
Catalog Number:
AG0026WB
Chemical Name:
1-Piperazinecarboxylic acid, 4-(2-cyanophenyl)-, 1,1-dimethylethyl ester
CAS Number:
179250-25-0
Molecular Formula:
C16H21N3O2
Molecular Weight:
287.3568
MDL Number:
MFCD08275016
IUPAC Name:
tert-butyl 4-(2-cyanophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H21N3O2/c1-16(2,3)21-15(20)19-10-8-18(9-11-19)14-7-5-4-6-13(14)12-17/h4-7H,8-11H2,1-3H3
InChI Key:
OLDBLJCXZXMUEO-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.363g/mol
Monoisotopic Mass:
287.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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