1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine

C11H22F2N2 — CID 64838559

IUPAC1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine
SMILESCCC1(C)CNC(C)(C)CN1CC(F)F
InChIInChI=1S/C11H22F2N2/c1-5-11(4)7-14-10(2,3)8-15(11)6-9(12)13/h9,14H,5-8H2,1-4H3
InChIKeyJXYIRBZXLWFOAW-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.10
Rot. Bonds3

About 1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine

1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine (PubChem CID 64838559) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine
PubChem CID64838559
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine
SMILESCCC1(C)CNC(C)(C)CN1CC(F)F
InChIInChI=1S/C11H22F2N2/c1-5-11(4)7-14-10(2,3)8-15(11)6-9(12)13/h9,14H,5-8H2,1-4H3
InChIKeyJXYIRBZXLWFOAW-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine 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

1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine
CID 114934587
1-(2,2-difluoroethyl)-5-ethyl-2,2,5-trimethylpiperazine
CID 64849845
2-ethyl-1-[(2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
CID 64843429
1-(cyclopentylmethyl)-2-ethyl-2,5,5-trimethylpiperazine
CID 64838567
2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine
CID 64861806
1-[(2,3-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine
CID 64838563
2-ethyl-1-(3-ethylsulfonylpropyl)-2,5,5-trimethylpiperazine
CID 65097594
2-ethyl-2,5,5-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64838757
2-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]-2,5,5-trimethylpiperazine
CID 64843626
8-ethyl-9-(2-methoxypropyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 113383044
2-ethyl-2,5,5-trimethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64843041
2,5,5-triethyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80696303

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine?
The IUPAC name of 1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine (CID 64838559) is 1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine is CCC1(C)CNC(C)(C)CN1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine?
The InChIKey is JXYIRBZXLWFOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-5-11(4)7-14-10(2,3)8-15(11)6-9(12)13/h9,14H,5-8H2,1-4H3.
What are the key properties of 1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine?
1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine has a molecular weight of 220.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-ethyl-2,5,5-trimethylpiperazine is sourced from PubChem (CID 64838559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).