1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine

C13H18F2N2 — CID 64934794

IUPAC1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine
SMILESCCC1CN(c2c(F)cccc2F)C(C)CN1
InChIInChI=1S/C13H18F2N2/c1-3-10-8-17(9(2)7-16-10)13-11(14)5-4-6-12(13)15/h4-6,9-10,16H,3,7-8H2,1-2H3
InChIKeyZXLSDGFSRJJELF-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.54
Rot. Bonds2

About 1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine

1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine (PubChem CID 64934794) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine
PubChem CID64934794
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine
SMILESCCC1CN(c2c(F)cccc2F)C(C)CN1
InChIInChI=1S/C13H18F2N2/c1-3-10-8-17(9(2)7-16-10)13-11(14)5-4-6-12(13)15/h4-6,9-10,16H,3,7-8H2,1-2H3
InChIKeyZXLSDGFSRJJELF-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 107603926
5-ethyl-2-methyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64930789
5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine
CID 64945888
2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine
CID 115565123
1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946904
1-(2,6-difluorophenyl)-3-ethyl-1,4-diazepane
CID 64943922
1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 114934592
1-(2,6-dibromophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 107603846
1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 107603940
1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine
CID 64932182
5-ethyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930277
1-(4-fluoro-3-methylphenyl)-2-methyl-5-propylpiperazine
CID 64940190

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine?
The IUPAC name of 1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine (CID 64934794) is 1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine is CCC1CN(c2c(F)cccc2F)C(C)CN1.
What is the InChIKey of 1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine?
The InChIKey is ZXLSDGFSRJJELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-3-10-8-17(9(2)7-16-10)13-11(14)5-4-6-12(13)15/h4-6,9-10,16H,3,7-8H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine?
1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine has a molecular weight of 240.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5-ethyl-2-methylpiperazine is sourced from PubChem (CID 64934794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).