4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-amine

C9H18F3N3O — CID 83021460

IUPAC4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-amine
SMILESCN1CCN(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3O/c1-14-3-5-15(6-4-14)13-2-7-16-8-9(10,11)12/h13H,2-8H2,1H3
InChIKeyJQUSEBCGGAUCDE-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.32
Rot. Bonds5

About 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-amine

4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-amine (PubChem CID 83021460) has the molecular formula C9H18F3N3O and a molecular weight of 241.26 g/mol. Its IUPAC name is 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-amine
PubChem CID83021460
Molecular FormulaC9H18F3N3O
Molecular Weight241.26 g/mol
Exact Mass241.14
IUPAC Name4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-amine
SMILESCN1CCN(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C9H18F3N3O/c1-14-3-5-15(6-4-14)13-2-7-16-8-9(10,11)12/h13H,2-8H2,1H3
InChIKeyJQUSEBCGGAUCDE-UHFFFAOYSA-N
XLogP0.32
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-amine?
The IUPAC name of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-amine (CID 83021460) is 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-amine?
The canonical SMILES for 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-amine is CN1CCN(NCCOCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-amine?
The InChIKey is JQUSEBCGGAUCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O/c1-14-3-5-15(6-4-14)13-2-7-16-8-9(10,11)12/h13H,2-8H2,1H3.
What are the key properties of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-amine?
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-amine has a molecular weight of 241.26 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-amine is sourced from PubChem (CID 83021460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).