2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol

C12H15BrFNO — CID 117465152

IUPAC2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol
SMILESCc1cc(C2CCNCC2)c(F)c(O)c1Br
InChIInChI=1S/C12H15BrFNO/c1-7-6-9(8-2-4-15-5-3-8)11(14)12(16)10(7)13/h6,8,15-16H,2-5H2,1H3
InChIKeyBGCIZQKTJOTGGL-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.07
Rot. Bonds1

About 2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol

2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol (PubChem CID 117465152) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol.

Molecular Properties

Compound Name2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol
PubChem CID117465152
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol
SMILESCc1cc(C2CCNCC2)c(F)c(O)c1Br
InChIInChI=1S/C12H15BrFNO/c1-7-6-9(8-2-4-15-5-3-8)11(14)12(16)10(7)13/h6,8,15-16H,2-5H2,1H3
InChIKeyBGCIZQKTJOTGGL-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol
CID 84799689
2-fluoro-5-methyl-3-piperidin-4-ylphenol
CID 117299013
2,3,6-trimethyl-4-piperidin-4-ylphenol
CID 117116552
3-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)pyrrolidine
CID 117465146
4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol
CID 117489228
4-(4-bromo-2,5-dimethylphenyl)piperidine
CID 84808321
2-bromo-4-fluoro-6-piperidin-4-ylphenol
CID 84713813
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537
2-bromo-6-methyl-4-piperidin-4-ylphenol
CID 84712705
3-bromo-5-fluoro-4-piperidin-4-ylbenzene-1,2-diol
CID 117468437
4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
CID 84790268
3,4-dimethyl-5-piperidin-4-ylbenzene-1,2-diol
CID 117316359

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol?
The IUPAC name of 2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol (CID 117465152) is 2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol.
What is the SMILES notation for 2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol?
The canonical SMILES for 2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol is Cc1cc(C2CCNCC2)c(F)c(O)c1Br.
What is the InChIKey of 2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol?
The InChIKey is BGCIZQKTJOTGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-7-6-9(8-2-4-15-5-3-8)11(14)12(16)10(7)13/h6,8,15-16H,2-5H2,1H3.
What are the key properties of 2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol?
2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol has a molecular weight of 288.16 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol is sourced from PubChem (CID 117465152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).