5-tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine

C13H25F3N2O — CID 155003866

IUPAC5-tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine
SMILESCCCN1CC(C(C)(C)C)NCC1OCC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-5-6-18-8-10(12(2,3)4)17-7-11(18)19-9-13(14,15)16/h10-11,17H,5-9H2,1-4H3
InChIKeyNSVKJUIFEBXFGE-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.62
Rot. Bonds4

About 5-tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine

5-tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine (PubChem CID 155003866) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine.

Molecular Properties

Compound Name5-tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine
PubChem CID155003866
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name5-tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine
SMILESCCCN1CC(C(C)(C)C)NCC1OCC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-5-6-18-8-10(12(2,3)4)17-7-11(18)19-9-13(14,15)16/h10-11,17H,5-9H2,1-4H3
InChIKeyNSVKJUIFEBXFGE-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine?
The IUPAC name of 5-tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine (CID 155003866) is 5-tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine.
What is the SMILES notation for 5-tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine?
The canonical SMILES for 5-tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine is CCCN1CC(C(C)(C)C)NCC1OCC(F)(F)F.
What is the InChIKey of 5-tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine?
The InChIKey is NSVKJUIFEBXFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-5-6-18-8-10(12(2,3)4)17-7-11(18)19-9-13(14,15)16/h10-11,17H,5-9H2,1-4H3.
What are the key properties of 5-tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine?
5-tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine has a molecular weight of 282.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine is sourced from PubChem (CID 155003866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).