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

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

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

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N,N,1-trimethylpiperidin-4-amine
CID 6484201
4-(aminomethyl)-1-ethyl-N,N-dimethylpiperidin-4-amine
CID 9161436
Diethyl carbanyl piperazine
CID 18770859
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-2-amine
CID 55219725
3-(Difluoromethyl)-1-propan-2-ylpiperidin-3-amine
CID 57886940
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 59472438
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62591699
(1-Tert-butyl-4-fluoropiperidin-4-yl)methanamine
CID 68272026
3-(Difluoromethyl)-1-ethylpiperidin-3-amine
CID 89364714
[4-(4,4-Difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine
CID 91387931
N,4-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115305132
[1-(4,4-Difluoropiperidin-1-yl)cyclohexyl]methanamine
CID 117738681

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).