1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol

C16H24F2N2O2 — CID 111543382

IUPAC1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol
SMILESCOCC(C)N1CCN(CC(O)c2c(F)cccc2F)CC1
InChIInChI=1S/C16H24F2N2O2/c1-12(11-22-2)20-8-6-19(7-9-20)10-15(21)16-13(17)4-3-5-14(16)18/h3-5,12,15,21H,6-11H2,1-2H3
InChIKeyVHFVGMXLIBXCJR-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.65
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol

1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol (PubChem CID 111543382) has the molecular formula C16H24F2N2O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol
PubChem CID111543382
Molecular FormulaC16H24F2N2O2
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol
SMILESCOCC(C)N1CCN(CC(O)c2c(F)cccc2F)CC1
InChIInChI=1S/C16H24F2N2O2/c1-12(11-22-2)20-8-6-19(7-9-20)10-15(21)16-13(17)4-3-5-14(16)18/h3-5,12,15,21H,6-11H2,1-2H3
InChIKeyVHFVGMXLIBXCJR-UHFFFAOYSA-N
XLogP1.65
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol
CID 126759659
1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol
CID 110899763
1-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 110897208
1-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110897851
2-fluoro-6-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]benzonitrile
CID 95339349
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypropan-2-ol
CID 58891222
N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95151911
4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one
CID 110897257
N-[1-(2,6-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191829
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol
CID 111701838

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol (CID 111543382) is 1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol is COCC(C)N1CCN(CC(O)c2c(F)cccc2F)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol?
The InChIKey is VHFVGMXLIBXCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2/c1-12(11-22-2)20-8-6-19(7-9-20)10-15(21)16-13(17)4-3-5-14(16)18/h3-5,12,15,21H,6-11H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol?
1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol has a molecular weight of 314.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 111543382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).