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

C16H23F2NO2 — CID 111122492

IUPAC1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol
SMILESCCOCC1CCN(CC(O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H23F2NO2/c1-2-21-11-12-5-7-19(8-6-12)10-16(20)14-4-3-13(17)9-15(14)18/h3-4,9,12,16,20H,2,5-8,10-11H2,1H3
InChIKeyXRKVWSMXOXNCLS-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.75
Rot. Bonds6

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

1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol (PubChem CID 111122492) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol
PubChem CID111122492
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol
SMILESCCOCC1CCN(CC(O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H23F2NO2/c1-2-21-11-12-5-7-19(8-6-12)10-16(20)14-4-3-13(17)9-15(14)18/h3-4,9,12,16,20H,2,5-8,10-11H2,1H3
InChIKeyXRKVWSMXOXNCLS-UHFFFAOYSA-N
XLogP2.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol
CID 110898680
1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898547
(1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol
CID 166370843
(1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 95142745
1-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-methoxyethanone
CID 110898010
1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol
CID 86773453
1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol
CID 115608674
1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 111442628
1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine
CID 107521390
methyl 2-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]acetate
CID 111916316
1-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 110903106
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2,4-difluorophenyl)ethanamine
CID 107520191

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol (CID 111122492) is 1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol is CCOCC1CCN(CC(O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol?
The InChIKey is XRKVWSMXOXNCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-2-21-11-12-5-7-19(8-6-12)10-16(20)14-4-3-13(17)9-15(14)18/h3-4,9,12,16,20H,2,5-8,10-11H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol?
1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol has a molecular weight of 299.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 111122492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).