1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

C14H18F2N2O2 — CID 62025506

IUPAC1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CCO)CC1)c1c(F)cccc1F
InChIInChI=1S/C14H18F2N2O2/c15-11-2-1-3-12(16)14(11)13(20)10-18-6-4-17(5-7-18)8-9-19/h1-3,19H,4-10H2
InChIKeyDDUBTBDUIKXJLR-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.76
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 62025506) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID62025506
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CCO)CC1)c1c(F)cccc1F
InChIInChI=1S/C14H18F2N2O2/c15-11-2-1-3-12(16)14(11)13(20)10-18-6-4-17(5-7-18)8-9-19/h1-3,19H,4-10H2
InChIKeyDDUBTBDUIKXJLR-UHFFFAOYSA-N
XLogP0.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 58514169
1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55130596
1-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223613
(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 114560153
1-(3-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 82071216
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxyphenyl)ethanone
CID 60680749
1-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025348
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 947076
1-(3-fluoro-4-methoxyphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62023135
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 3328297
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-(3-methylphenyl)ethanone
CID 107223640
1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
CID 43797360

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (CID 62025506) is 1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is O=C(CN1CCN(CCO)CC1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is DDUBTBDUIKXJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-11-2-1-3-12(16)14(11)13(20)10-18-6-4-17(5-7-18)8-9-19/h1-3,19H,4-10H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 284.31 g/mol, XLogP of 0.76, 5 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-(2-hydroxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 62025506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).