Tert-butyl 4-(2-nitro-4-(trifluoromethyl)phenyl)piperazine-1-carboxylate

HCID 53426214CAS 474329-72-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1
InChIKey
IHQGBVYFZMSBRF-UHFFFAOYSA-N
Molecular formula
C16H20F3N3O4
Average molar mass
375.34 g/mol
Monoisotopic mass
375.14059078

Names & identifiers

Preferred name
Tert-butyl 4-(2-nitro-4-(trifluoromethyl)phenyl)piperazine-1-carboxylate
IUPAC
tert-butyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate
English name
4-(2-Nitro-4-trifluoromethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
Molecular formula
C16H20F3N3O4
Molecular weight
375.34

Names & synonyms

474329-72-1tert-butyl 4-(2-nitro-4-(trifluoromethyl)phenyl)piperazine-1-carboxylatetert-butyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate4-(2-NITRO-4-TRIFLUOROMETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERMFCD06408845SCHEMBL3730926SCHEMBL30301697DTXSID50699125AS-93890DB-344201F95614EN300-26271325
Show more names
1-Piperazinecarboxylic acid, 4-[2-nitro-4-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
F575173tert-butyl 4-(2-nitro-4-(trifluoro-methyl)phenyl)piperazine-1-carboxylate

Database identifiers

CAS
474329-72-1
PubChem CID
53426214
DTXSID
DTXSID50699125

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
78.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
26

Chemistry & industry

Suppliers4 total

无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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