3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol

C11H14ClFN2O — CID 84802721

IUPAC3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol
SMILESCc1cc(F)c(O)c(N2CCNCC2)c1Cl
InChIInChI=1S/C11H14ClFN2O/c1-7-6-8(13)11(16)10(9(7)12)15-4-2-14-3-5-15/h6,14,16H,2-5H2,1H3
InChIKeyWBKHPGOLECNGRX-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.90
Rot. Bonds1

About 3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol

3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol (PubChem CID 84802721) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol.

Molecular Properties

Compound Name3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol
PubChem CID84802721
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol
SMILESCc1cc(F)c(O)c(N2CCNCC2)c1Cl
InChIInChI=1S/C11H14ClFN2O/c1-7-6-8(13)11(16)10(9(7)12)15-4-2-14-3-5-15/h6,14,16H,2-5H2,1H3
InChIKeyWBKHPGOLECNGRX-UHFFFAOYSA-N
XLogP1.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol
CID 84800718
1-(2-chloro-3,6-dimethylphenyl)piperazine
CID 84789887
1-(4-chloro-3,5-difluorophenyl)piperazine
CID 84795776
1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine
CID 84801852
1-(4,5-difluoro-2-methylphenyl)piperazine
CID 84782277
1-(2,6-dichloro-4-methylphenyl)piperazine
CID 166899180
3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236453
1-(2,3,5,6-tetrafluorophenyl)piperazine
CID 21363751
2-chloro-3,5-dimethyl-6-(piperazin-1-ylmethyl)phenol
CID 117390249
1-(4-tert-butyl-2,6-difluorophenyl)piperazine
CID 164933901
4-chloro-3-methyl-2-piperazin-1-ylphenol
CID 84791178
1-(5-chloro-2-methylphenyl)piperazine
CID 693767

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol?
The IUPAC name of 3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol (CID 84802721) is 3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol.
What is the SMILES notation for 3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol?
The canonical SMILES for 3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol is Cc1cc(F)c(O)c(N2CCNCC2)c1Cl.
What is the InChIKey of 3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol?
The InChIKey is WBKHPGOLECNGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-7-6-8(13)11(16)10(9(7)12)15-4-2-14-3-5-15/h6,14,16H,2-5H2,1H3.
What are the key properties of 3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol?
3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol has a molecular weight of 244.70 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol is sourced from PubChem (CID 84802721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).