1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol

C17H25F2NO2 — CID 110899763

IUPAC1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol
SMILESCC(C)COC1CCN(CC(O)c2c(F)cccc2F)CC1
InChIInChI=1S/C17H25F2NO2/c1-12(2)11-22-13-6-8-20(9-7-13)10-16(21)17-14(18)4-3-5-15(17)19/h3-5,12-13,16,21H,6-11H2,1-2H3
InChIKeySDHXMBDXRHMOIH-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.14
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol

1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol (PubChem CID 110899763) has the molecular formula C17H25F2NO2 and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol
PubChem CID110899763
Molecular FormulaC17H25F2NO2
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol
SMILESCC(C)COC1CCN(CC(O)c2c(F)cccc2F)CC1
InChIInChI=1S/C17H25F2NO2/c1-12(2)11-22-13-6-8-20(9-7-13)10-16(21)17-14(18)4-3-5-15(17)19/h3-5,12-13,16,21H,6-11H2,1-2H3
InChIKeySDHXMBDXRHMOIH-UHFFFAOYSA-N
XLogP3.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 110897208
1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol
CID 111543382
1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol
CID 126759659
1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol
CID 110912986
1-(2,6-difluorophenyl)-2-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanol
CID 111105329
1-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110897851
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol
CID 111701838
1-(2-aminophenyl)-2-(4-ethoxypiperidin-1-yl)ethanol
CID 62264585
1-(4-fluorophenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 110883521
2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-ol
CID 170065086
(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

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol (CID 110899763) is 1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol is CC(C)COC1CCN(CC(O)c2c(F)cccc2F)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol?
The InChIKey is SDHXMBDXRHMOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO2/c1-12(2)11-22-13-6-8-20(9-7-13)10-16(21)17-14(18)4-3-5-15(17)19/h3-5,12-13,16,21H,6-11H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol?
1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol has a molecular weight of 313.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol is sourced from PubChem (CID 110899763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).