4-bromo-2-fluoro-3-piperazin-1-ylphenol

C10H12BrFN2O — CID 84810659

IUPAC4-bromo-2-fluoro-3-piperazin-1-ylphenol
SMILESOc1ccc(Br)c(N2CCNCC2)c1F
InChIInChI=1S/C10H12BrFN2O/c11-7-1-2-8(15)9(12)10(7)14-5-3-13-4-6-14/h1-2,13,15H,3-6H2
InChIKeyWBHNAZXXUJASIV-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.70
Rot. Bonds1

About 4-bromo-2-fluoro-3-piperazin-1-ylphenol

4-bromo-2-fluoro-3-piperazin-1-ylphenol (PubChem CID 84810659) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 4-bromo-2-fluoro-3-piperazin-1-ylphenol.

Molecular Properties

Compound Name4-bromo-2-fluoro-3-piperazin-1-ylphenol
PubChem CID84810659
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name4-bromo-2-fluoro-3-piperazin-1-ylphenol
SMILESOc1ccc(Br)c(N2CCNCC2)c1F
InChIInChI=1S/C10H12BrFN2O/c11-7-1-2-8(15)9(12)10(7)14-5-3-13-4-6-14/h1-2,13,15H,3-6H2
InChIKeyWBHNAZXXUJASIV-UHFFFAOYSA-N
XLogP1.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3,5,6-tetrafluoro-4-piperazin-1-ylphenyl)piperazine
CID 74891876
1-(2,3,5,6-tetrafluorophenyl)piperazine
CID 21363751
4-chloro-3-methyl-2-piperazin-1-ylphenol
CID 84791178
3-chloro-2-piperazin-1-ylphenol
CID 84679423
2-fluoro-5,8-dihydroxy-3-piperazin-1-ylnaphthalene-1,4-dione
CID 142635544
(2S)-2-(3-bromo-2,6-difluorophenyl)-2-piperazin-1-ylethanol
CID 171173640
3-bromo-8-fluoro-4-piperazin-1-ylquinoline
CID 121236387
5-(3-bromo-2-fluoro-6-hydroxyphenyl)-1-oxo-1,2,5-thiadiazolidin-3-one
CID 168900722
3-bromo-2-fluoro-6-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol
CID 171299840
1-[(1R)-1-(3-bromo-2,6-difluorophenyl)ethyl]piperazine
CID 171169983
1-[(1S)-1-(3-bromo-2,6-difluorophenyl)-3-methylbut-3-enyl]piperazine
CID 171277712
6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol
CID 168515676

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-3-piperazin-1-ylphenol?
The IUPAC name of 4-bromo-2-fluoro-3-piperazin-1-ylphenol (CID 84810659) is 4-bromo-2-fluoro-3-piperazin-1-ylphenol.
What is the SMILES notation for 4-bromo-2-fluoro-3-piperazin-1-ylphenol?
The canonical SMILES for 4-bromo-2-fluoro-3-piperazin-1-ylphenol is Oc1ccc(Br)c(N2CCNCC2)c1F.
What is the InChIKey of 4-bromo-2-fluoro-3-piperazin-1-ylphenol?
The InChIKey is WBHNAZXXUJASIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c11-7-1-2-8(15)9(12)10(7)14-5-3-13-4-6-14/h1-2,13,15H,3-6H2.
What are the key properties of 4-bromo-2-fluoro-3-piperazin-1-ylphenol?
4-bromo-2-fluoro-3-piperazin-1-ylphenol has a molecular weight of 275.12 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-3-piperazin-1-ylphenol is sourced from PubChem (CID 84810659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).