1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine

C15H23F2N3 — CID 63267675

IUPAC1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
SMILESCC(c1c(F)cccc1F)N(C)CCN1CCNCC1
InChIInChI=1S/C15H23F2N3/c1-12(15-13(16)4-3-5-14(15)17)19(2)10-11-20-8-6-18-7-9-20/h3-5,12,18H,6-11H2,1-2H3
InChIKeyXADZUCYIGBJDGB-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.86
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine

1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine (PubChem CID 63267675) has the molecular formula C15H23F2N3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
PubChem CID63267675
Molecular FormulaC15H23F2N3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
SMILESCC(c1c(F)cccc1F)N(C)CCN1CCNCC1
InChIInChI=1S/C15H23F2N3/c1-12(15-13(16)4-3-5-14(15)17)19(2)10-11-20-8-6-18-7-9-20/h3-5,12,18H,6-11H2,1-2H3
InChIKeyXADZUCYIGBJDGB-UHFFFAOYSA-N
XLogP1.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 55168867
3-[1-[methyl(2-piperazin-1-ylethyl)amino]ethyl]benzonitrile
CID 63991133
1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 63267366
N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine
CID 63267619
1-[1-(2,6-difluorophenyl)ethyl-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 111106058
N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 63265653
3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 62977945
1-[(1R)-1-(2,6-difluorophenyl)-3-methylbutyl]piperazine
CID 171169542
1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine
CID 171181869
1-[1-(2,6-difluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 110932600
3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 63265596
3-fluoro-4-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)aniline
CID 115230323

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine (CID 63267675) is 1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine is CC(c1c(F)cccc1F)N(C)CCN1CCNCC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine?
The InChIKey is XADZUCYIGBJDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3/c1-12(15-13(16)4-3-5-14(15)17)19(2)10-11-20-8-6-18-7-9-20/h3-5,12,18H,6-11H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine?
1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine has a molecular weight of 283.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine is sourced from PubChem (CID 63267675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).