5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol

C12H15BrFNO2 — CID 117489232

IUPAC5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol
SMILESCOc1c(O)cc(Br)c(C2CCNCC2)c1F
InChIInChI=1S/C12H15BrFNO2/c1-17-12-9(16)6-8(13)10(11(12)14)7-2-4-15-5-3-7/h6-7,15-16H,2-5H2,1H3
InChIKeyKWQUUHXDLGIQCJ-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.77
Rot. Bonds2

About 5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol

5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol (PubChem CID 117489232) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol
PubChem CID117489232
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol
SMILESCOc1c(O)cc(Br)c(C2CCNCC2)c1F
InChIInChI=1S/C12H15BrFNO2/c1-17-12-9(16)6-8(13)10(11(12)14)7-2-4-15-5-3-7/h6-7,15-16H,2-5H2,1H3
InChIKeyKWQUUHXDLGIQCJ-UHFFFAOYSA-N
XLogP2.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-fluoro-2-methoxy-3-piperidin-4-ylphenol
CID 117489235
3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine
CID 117489218
4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol
CID 117489228
4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine
CID 117499633
4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465158
4-(4-bromo-2,3-dimethoxy-6-methylphenyl)piperidine
CID 117499637
3-fluoro-4-methoxy-2-piperidin-4-ylphenol
CID 84790129
2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol
CID 84799689
3-bromo-5-fluoro-4-piperidin-4-ylbenzene-1,2-diol
CID 117468437
3-fluoro-5-methoxy-4-piperidin-4-ylphenol
CID 84790128
3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
CID 84692495
4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116557

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol?
The IUPAC name of 5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol (CID 117489232) is 5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol.
What is the SMILES notation for 5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol?
The canonical SMILES for 5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol is COc1c(O)cc(Br)c(C2CCNCC2)c1F.
What is the InChIKey of 5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol?
The InChIKey is KWQUUHXDLGIQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-17-12-9(16)6-8(13)10(11(12)14)7-2-4-15-5-3-7/h6-7,15-16H,2-5H2,1H3.
What are the key properties of 5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol?
5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol has a molecular weight of 304.16 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol is sourced from PubChem (CID 117489232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).