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

C18H18F4N2O — CID 166370843

IUPAC(1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol
SMILESO[C@@H](CN1CCN(c2c(F)cccc2F)CC1)c1ccc(F)cc1F
InChIInChI=1S/C18H18F4N2O/c19-12-4-5-13(16(22)10-12)17(25)11-23-6-8-24(9-7-23)18-14(20)2-1-3-15(18)21/h1-5,10,17,25H,6-9,11H2/t17-/m0/s1
InChIKeyWGCORAQCIXVAJX-KRWDZBQOSA-N
MW354.35 g/mol
LogP3.10
Rot. Bonds4

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

(1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol (PubChem CID 166370843) has the molecular formula C18H18F4N2O and a molecular weight of 354.35 g/mol. Its IUPAC name is (1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol
PubChem CID166370843
Molecular FormulaC18H18F4N2O
Molecular Weight354.35 g/mol
Exact Mass354.14
IUPAC Name(1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol
SMILESO[C@@H](CN1CCN(c2c(F)cccc2F)CC1)c1ccc(F)cc1F
InChIInChI=1S/C18H18F4N2O/c19-12-4-5-13(16(22)10-12)17(25)11-23-6-8-24(9-7-23)18-14(20)2-1-3-15(18)21/h1-5,10,17,25H,6-9,11H2/t17-/m0/s1
InChIKeyWGCORAQCIXVAJX-KRWDZBQOSA-N
XLogP3.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898547
1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol
CID 111122492
1-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-methoxyethanone
CID 110898010
2-[4-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 94407139
methyl 2-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]acetate
CID 111916316
(1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 95142745
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
CID 50748235
1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol
CID 86773453
1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol
CID 109400824

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol?
The IUPAC name of (1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol (CID 166370843) is (1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol is O[C@@H](CN1CCN(c2c(F)cccc2F)CC1)c1ccc(F)cc1F.
What is the InChIKey of (1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol?
The InChIKey is WGCORAQCIXVAJX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18F4N2O/c19-12-4-5-13(16(22)10-12)17(25)11-23-6-8-24(9-7-23)18-14(20)2-1-3-15(18)21/h1-5,10,17,25H,6-9,11H2/t17-/m0/s1.
What are the key properties of (1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol?
(1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol has a molecular weight of 354.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 166370843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).