4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one

C12H14F2N2O2 — CID 110897257

IUPAC4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one
SMILESO=C1CN(CC(O)c2c(F)cccc2F)CCN1
InChIInChI=1S/C12H14F2N2O2/c13-8-2-1-3-9(14)12(8)10(17)6-16-5-4-15-11(18)7-16/h1-3,10,17H,4-7H2,(H,15,18)
InChIKeyBSVVCNVMUPZZDL-UHFFFAOYSA-N
MW256.25 g/mol
LogP0.43
Rot. Bonds3

About 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one

4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one (PubChem CID 110897257) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one
PubChem CID110897257
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one
SMILESO=C1CN(CC(O)c2c(F)cccc2F)CCN1
InChIInChI=1S/C12H14F2N2O2/c13-8-2-1-3-9(14)12(8)10(17)6-16-5-4-15-11(18)7-16/h1-3,10,17H,4-7H2,(H,15,18)
InChIKeyBSVVCNVMUPZZDL-UHFFFAOYSA-N
XLogP0.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one?
The IUPAC name of 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one (CID 110897257) is 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one?
The canonical SMILES for 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one is O=C1CN(CC(O)c2c(F)cccc2F)CCN1.
What is the InChIKey of 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one?
The InChIKey is BSVVCNVMUPZZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-8-2-1-3-9(14)12(8)10(17)6-16-5-4-15-11(18)7-16/h1-3,10,17H,4-7H2,(H,15,18).
What are the key properties of 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one?
4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one has a molecular weight of 256.25 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one is sourced from PubChem (CID 110897257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).