1-(2,4-difluoro-5-piperazin-1-ylphenyl)ethanol

C12H16F2N2O — CID 20785245

IUPAC1-(2,4-difluoro-5-piperazin-1-ylphenyl)ethanol
SMILESCC(O)c1cc(N2CCNCC2)c(F)cc1F
InChIInChI=1S/C12H16F2N2O/c1-8(17)9-6-12(11(14)7-10(9)13)16-4-2-15-3-5-16/h6-8,15,17H,2-5H2,1H3
InChIKeyAQIYBLWVLWRQIJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.43
Rot. Bonds2

About 1-(2,4-difluoro-5-piperazin-1-ylphenyl)ethanol

1-(2,4-difluoro-5-piperazin-1-ylphenyl)ethanol (PubChem CID 20785245) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-piperazin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,4-difluoro-5-piperazin-1-ylphenyl)ethanol
PubChem CID20785245
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name1-(2,4-difluoro-5-piperazin-1-ylphenyl)ethanol
SMILESCC(O)c1cc(N2CCNCC2)c(F)cc1F
InChIInChI=1S/C12H16F2N2O/c1-8(17)9-6-12(11(14)7-10(9)13)16-4-2-15-3-5-16/h6-8,15,17H,2-5H2,1H3
InChIKeyAQIYBLWVLWRQIJ-UHFFFAOYSA-N
XLogP1.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-piperazin-1-ylphenyl)ethanol?
The IUPAC name of 1-(2,4-difluoro-5-piperazin-1-ylphenyl)ethanol (CID 20785245) is 1-(2,4-difluoro-5-piperazin-1-ylphenyl)ethanol.
What is the SMILES notation for 1-(2,4-difluoro-5-piperazin-1-ylphenyl)ethanol?
The canonical SMILES for 1-(2,4-difluoro-5-piperazin-1-ylphenyl)ethanol is CC(O)c1cc(N2CCNCC2)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-piperazin-1-ylphenyl)ethanol?
The InChIKey is AQIYBLWVLWRQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8(17)9-6-12(11(14)7-10(9)13)16-4-2-15-3-5-16/h6-8,15,17H,2-5H2,1H3.
What are the key properties of 1-(2,4-difluoro-5-piperazin-1-ylphenyl)ethanol?
1-(2,4-difluoro-5-piperazin-1-ylphenyl)ethanol has a molecular weight of 242.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-piperazin-1-ylphenyl)ethanol is sourced from PubChem (CID 20785245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).