2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine

C12H24F3N3 — CID 43173290

IUPAC2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
SMILESCCC(CC)(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3/c1-3-11(4-2,9-16)18-7-5-17(6-8-18)10-12(13,14)15/h3-10,16H2,1-2H3
InChIKeyQJZBAEUYYGWETQ-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.68
Rot. Bonds5

About 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine

2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine (PubChem CID 43173290) has the molecular formula C12H24F3N3 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
PubChem CID43173290
Molecular FormulaC12H24F3N3
Molecular Weight267.34 g/mol
Exact Mass267.19
IUPAC Name2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
SMILESCCC(CC)(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H24F3N3/c1-3-11(4-2,9-16)18-7-5-17(6-8-18)10-12(13,14)15/h3-10,16H2,1-2H3
InChIKeyQJZBAEUYYGWETQ-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine (CID 43173290) is 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine is CCC(CC)(CN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine?
The InChIKey is QJZBAEUYYGWETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3/c1-3-11(4-2,9-16)18-7-5-17(6-8-18)10-12(13,14)15/h3-10,16H2,1-2H3.
What are the key properties of 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine?
2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 43173290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).