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

C14H27F3N2 — CID 64843214

IUPAC5-tert-butyl-2,2-diethyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCCC1(CC)CNC(C(C)(C)C)CN1CC(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-6-13(7-2)9-18-11(12(3,4)5)8-19(13)10-14(15,16)17/h11,18H,6-10H2,1-5H3
InChIKeyLBSGTNKYUOOQSO-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds3

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

5-tert-butyl-2,2-diethyl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 64843214) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 5-tert-butyl-2,2-diethyl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2,2-diethyl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID64843214
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name5-tert-butyl-2,2-diethyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCCC1(CC)CNC(C(C)(C)C)CN1CC(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-6-13(7-2)9-18-11(12(3,4)5)8-19(13)10-14(15,16)17/h11,18H,6-10H2,1-5H3
InChIKeyLBSGTNKYUOOQSO-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

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,2-diethyl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 5-tert-butyl-2,2-diethyl-1-(2,2,2-trifluoroethyl)piperazine (CID 64843214) is 5-tert-butyl-2,2-diethyl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2,2-diethyl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 5-tert-butyl-2,2-diethyl-1-(2,2,2-trifluoroethyl)piperazine is CCC1(CC)CNC(C(C)(C)C)CN1CC(F)(F)F.
What is the InChIKey of 5-tert-butyl-2,2-diethyl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is LBSGTNKYUOOQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-6-13(7-2)9-18-11(12(3,4)5)8-19(13)10-14(15,16)17/h11,18H,6-10H2,1-5H3.
What are the key properties of 5-tert-butyl-2,2-diethyl-1-(2,2,2-trifluoroethyl)piperazine?
5-tert-butyl-2,2-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 5-tert-butyl-2,2-diethyl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 64843214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).