4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one

C13H17FN2O2 — CID 114059174

IUPAC4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one
SMILESCC(O)c1cccc(F)c1N1CCNC(=O)C1C
InChIInChI=1S/C13H17FN2O2/c1-8-13(18)15-6-7-16(8)12-10(9(2)17)4-3-5-11(12)14/h3-5,8-9,17H,6-7H2,1-2H3,(H,15,18)
InChIKeyDOPYXCSCZIRAAF-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.20
Rot. Bonds2

About 4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one

4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one (PubChem CID 114059174) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one
PubChem CID114059174
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one
SMILESCC(O)c1cccc(F)c1N1CCNC(=O)C1C
InChIInChI=1S/C13H17FN2O2/c1-8-13(18)15-6-7-16(8)12-10(9(2)17)4-3-5-11(12)14/h3-5,8-9,17H,6-7H2,1-2H3,(H,15,18)
InChIKeyDOPYXCSCZIRAAF-UHFFFAOYSA-N
XLogP1.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one (CID 114059174) is 4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one is CC(O)c1cccc(F)c1N1CCNC(=O)C1C.
What is the InChIKey of 4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one?
The InChIKey is DOPYXCSCZIRAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8-13(18)15-6-7-16(8)12-10(9(2)17)4-3-5-11(12)14/h3-5,8-9,17H,6-7H2,1-2H3,(H,15,18).
What are the key properties of 4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one?
4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one has a molecular weight of 252.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 114059174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).