1-(2-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine

C11H21F3N2 — CID 139543660

IUPAC1-(2-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCCC(C)(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-4-10(2,3)16-7-5-15(6-8-16)9-11(12,13)14/h4-9H2,1-3H3
InChIKeyQBDRLTSRKHMODR-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.35
Rot. Bonds3

About 1-(2-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine

1-(2-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 139543660) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID139543660
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name1-(2-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCCC(C)(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-4-10(2,3)16-7-5-15(6-8-16)9-11(12,13)14/h4-9H2,1-3H3
InChIKeyQBDRLTSRKHMODR-UHFFFAOYSA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylbutan-2-yl)-4-(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 1-(2-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(2-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine (CID 139543660) is 1-(2-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(2-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine is CCC(C)(C)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is QBDRLTSRKHMODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-4-10(2,3)16-7-5-15(6-8-16)9-11(12,13)14/h4-9H2,1-3H3.
What are the key properties of 1-(2-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(2-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 238.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 139543660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).