4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3,3-dimethylpiperazin-2-one

C14H18F2N2O2 — CID 111110000

IUPAC4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1CC(O)c1c(F)cccc1F
InChIInChI=1S/C14H18F2N2O2/c1-14(2)13(20)17-6-7-18(14)8-11(19)12-9(15)4-3-5-10(12)16/h3-5,11,19H,6-8H2,1-2H3,(H,17,20)
InChIKeyVFOOIRBZKFIYGF-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.21
Rot. Bonds3

About 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3,3-dimethylpiperazin-2-one

4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3,3-dimethylpiperazin-2-one (PubChem CID 111110000) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3,3-dimethylpiperazin-2-one
PubChem CID111110000
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1CC(O)c1c(F)cccc1F
InChIInChI=1S/C14H18F2N2O2/c1-14(2)13(20)17-6-7-18(14)8-11(19)12-9(15)4-3-5-10(12)16/h3-5,11,19H,6-8H2,1-2H3,(H,17,20)
InChIKeyVFOOIRBZKFIYGF-UHFFFAOYSA-N
XLogP1.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3,3-dimethylpiperazin-2-one
CID 78946539
4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one
CID 110897257
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanoic acid
CID 64565466
3,3-dimethyl-4-phenacylpiperazin-2-one
CID 55217276
4-(3-amino-2-phenylpropyl)-3,3-dimethylpiperazin-2-one
CID 55215724
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-phenylpropanenitrile
CID 64537353
3-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107115575
4-[3-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-hydroxypropoxy]benzoic acid
CID 154763088
4-(2-aminoethyl)-3,3-dimethylpiperazin-2-one
CID 63596626
4-[2-(4-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
CID 63605973
4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63362537
4-[(3-bromophenyl)methyl]-3,3-dimethylpiperazin-2-one
CID 63607709

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3,3-dimethylpiperazin-2-one (CID 111110000) is 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1CC(O)c1c(F)cccc1F.
What is the InChIKey of 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is VFOOIRBZKFIYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-14(2)13(20)17-6-7-18(14)8-11(19)12-9(15)4-3-5-10(12)16/h3-5,11,19H,6-8H2,1-2H3,(H,17,20).
What are the key properties of 4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3,3-dimethylpiperazin-2-one?
4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 284.31 g/mol, XLogP of 1.21, 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]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 111110000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).