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

C12H16F2N2O — CID 20785251

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

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

1-(2,5-difluoro-4-piperazin-1-ylphenyl)ethanol (PubChem CID 20785251) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-piperazin-1-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,5-difluoro-4-piperazin-1-ylphenyl)ethanol
PubChem CID20785251
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name1-(2,5-difluoro-4-piperazin-1-ylphenyl)ethanol
SMILESCC(O)c1cc(F)c(N2CCNCC2)cc1F
InChIInChI=1S/C12H16F2N2O/c1-8(17)9-6-11(14)12(7-10(9)13)16-4-2-15-3-5-16/h6-8,15,17H,2-5H2,1H3
InChIKeyCLCONCZOHUBVIN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-(2,5-difluoro-4-piperazin-1-ylphenyl)propane-1,2-diol
CID 70652891
1-(4,5-difluoro-2-methylphenyl)piperazine
CID 84782277
1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine
CID 155722191
1-[1-[4-fluoro-2-[(1S)-1-hydroxyethyl]-5-methylphenyl]piperidin-4-yl]ethanol
CID 106836529
1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol
CID 106836488
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
(3-fluoro-4-piperazin-1-ylphenyl)-methylsulfanium
CID 142440447
N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide
CID 20785639
1-[4-(1-fluoroethyl)-2-methylphenyl]piperazine
CID 115033526
6-methyl-1-(2,4,5-trifluorophenyl)-1,4-diazepane
CID 62809368
1-(2,4-difluorophenyl)piperazine;pyrrolidine
CID 143374840
4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one
CID 78939331

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-piperazin-1-ylphenyl)ethanol?
The IUPAC name of 1-(2,5-difluoro-4-piperazin-1-ylphenyl)ethanol (CID 20785251) is 1-(2,5-difluoro-4-piperazin-1-ylphenyl)ethanol.
What is the SMILES notation for 1-(2,5-difluoro-4-piperazin-1-ylphenyl)ethanol?
The canonical SMILES for 1-(2,5-difluoro-4-piperazin-1-ylphenyl)ethanol is CC(O)c1cc(F)c(N2CCNCC2)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-piperazin-1-ylphenyl)ethanol?
The InChIKey is CLCONCZOHUBVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8(17)9-6-11(14)12(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-(2,5-difluoro-4-piperazin-1-ylphenyl)ethanol?
1-(2,5-difluoro-4-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-(2,5-difluoro-4-piperazin-1-ylphenyl)ethanol is sourced from PubChem (CID 20785251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).