2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine

C14H27F3N2 — CID 64861217

IUPAC2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCCC1(CC)CN(CC(F)(F)F)C(C(C)(C)C)CN1
InChIInChI=1S/C14H27F3N2/c1-6-13(7-2)9-19(10-14(15,16)17)11(8-18-13)12(3,4)5/h11,18H,6-10H2,1-5H3
InChIKeyCJKNISPZYMANPA-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds3

About 2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine

2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 64861217) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID64861217
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCCC1(CC)CN(CC(F)(F)F)C(C(C)(C)C)CN1
InChIInChI=1S/C14H27F3N2/c1-6-13(7-2)9-19(10-14(15,16)17)11(8-18-13)12(3,4)5/h11,18H,6-10H2,1-5H3
InChIKeyCJKNISPZYMANPA-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine (CID 64861217) is 2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine is CCC1(CC)CN(CC(F)(F)F)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is CJKNISPZYMANPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-6-13(7-2)9-19(10-14(15,16)17)11(8-18-13)12(3,4)5/h11,18H,6-10H2,1-5H3.
What are the key properties of 2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine?
2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 280.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,5-diethyl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 64861217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).