1-Tert-butyl 3-methyl 4-(2-cyano-4-nitrophenyl)piperazine-1,3-dicarboxylate

HCID 67001071
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Basic information

Standard SMILES
COC(=O)C1CN(C(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])cc1C#N
InChIKey
QHCKCAJACLVYAL-UHFFFAOYSA-N
Molecular formula
C18H22N4O6
Average molar mass
390.4 g/mol
Monoisotopic mass
390.15393443

Names & identifiers

Preferred name
1-Tert-butyl 3-methyl 4-(2-cyano-4-nitrophenyl)piperazine-1,3-dicarboxylate
IUPAC
1-O-tert-butyl 3-O-methyl 4-(2-cyano-4-nitrophenyl)piperazine-1,3-dicarboxylate

Names & synonyms

SCHEMBL1348961QHCKCAJACLVYAL-UHFFFAOYSA-N1-tert-butyl 3-methyl 4-(2-cyano-4-nitrophenyl)piperazine-1,3-dicarboxylate

Database identifiers

PubChem CID
67001071

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
129 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
28

Related reactions

2 records
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Compound notes

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