1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine

C10H19F3N2 — CID 59603470

IUPAC1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2/c1-9(2)7-14-3-5-15(6-4-14)8-10(11,12)13/h9H,3-8H2,1-2H3
InChIKeyVUXYJYITFNVSLO-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.82
Rot. Bonds3

About 1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 59603470) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID59603470
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2/c1-9(2)7-14-3-5-15(6-4-14)8-10(11,12)13/h9H,3-8H2,1-2H3
InChIKeyVUXYJYITFNVSLO-UHFFFAOYSA-N
XLogP1.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 59603470) is 1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine is CC(C)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is VUXYJYITFNVSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-9(2)7-14-3-5-15(6-4-14)8-10(11,12)13/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 224.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 59603470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).