2-bromo-4-fluoro-6-piperidin-4-ylphenol

C11H13BrFNO — CID 84713813

IUPAC2-bromo-4-fluoro-6-piperidin-4-ylphenol
SMILESOc1c(Br)cc(F)cc1C1CCNCC1
InChIInChI=1S/C11H13BrFNO/c12-10-6-8(13)5-9(11(10)15)7-1-3-14-4-2-7/h5-7,14-15H,1-4H2
InChIKeyIBOSESKVVYOMME-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.76
Rot. Bonds1

About 2-bromo-4-fluoro-6-piperidin-4-ylphenol

2-bromo-4-fluoro-6-piperidin-4-ylphenol (PubChem CID 84713813) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-piperidin-4-ylphenol.

Molecular Properties

Compound Name2-bromo-4-fluoro-6-piperidin-4-ylphenol
PubChem CID84713813
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name2-bromo-4-fluoro-6-piperidin-4-ylphenol
SMILESOc1c(Br)cc(F)cc1C1CCNCC1
InChIInChI=1S/C11H13BrFNO/c12-10-6-8(13)5-9(11(10)15)7-1-3-14-4-2-7/h5-7,14-15H,1-4H2
InChIKeyIBOSESKVVYOMME-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-6-piperidin-4-ylphenol?
The IUPAC name of 2-bromo-4-fluoro-6-piperidin-4-ylphenol (CID 84713813) is 2-bromo-4-fluoro-6-piperidin-4-ylphenol.
What is the SMILES notation for 2-bromo-4-fluoro-6-piperidin-4-ylphenol?
The canonical SMILES for 2-bromo-4-fluoro-6-piperidin-4-ylphenol is Oc1c(Br)cc(F)cc1C1CCNCC1.
What is the InChIKey of 2-bromo-4-fluoro-6-piperidin-4-ylphenol?
The InChIKey is IBOSESKVVYOMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-10-6-8(13)5-9(11(10)15)7-1-3-14-4-2-7/h5-7,14-15H,1-4H2.
What are the key properties of 2-bromo-4-fluoro-6-piperidin-4-ylphenol?
2-bromo-4-fluoro-6-piperidin-4-ylphenol has a molecular weight of 274.13 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6-piperidin-4-ylphenol is sourced from PubChem (CID 84713813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).