4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol

C12H15BrFNO2 — CID 117489094

IUPAC4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol
SMILESCOc1cc(Br)c(F)c(C2CCCCN2)c1O
InChIInChI=1S/C12H15BrFNO2/c1-17-9-6-7(13)11(14)10(12(9)16)8-4-2-3-5-15-8/h6,8,15-16H,2-5H2,1H3
InChIKeyYIGVKFJNCOTNHQ-UHFFFAOYSA-N
MW304.16 g/mol
LogP3.12
Rot. Bonds2

About 4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol

4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol (PubChem CID 117489094) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol.

Molecular Properties

Compound Name4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol
PubChem CID117489094
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol
SMILESCOc1cc(Br)c(F)c(C2CCCCN2)c1O
InChIInChI=1S/C12H15BrFNO2/c1-17-9-6-7(13)11(14)10(12(9)16)8-4-2-3-5-15-8/h6,8,15-16H,2-5H2,1H3
InChIKeyYIGVKFJNCOTNHQ-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol
CID 117359415
2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine
CID 84814358
2-(6-bromo-2-fluoro-3-methoxyphenyl)piperidine
CID 117465054
2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol
CID 131429410
5-bromo-2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486236
5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol
CID 117468272
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359
2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine
CID 84713802
5-bromo-4-methoxy-2-piperidin-2-ylphenol
CID 117460918
3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol
CID 117489090
2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
CID 77131485
2-(6-bromo-2,3-dimethoxyphenyl)piperidine
CID 117483535

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol?
The IUPAC name of 4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol (CID 117489094) is 4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol.
What is the SMILES notation for 4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol?
The canonical SMILES for 4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol is COc1cc(Br)c(F)c(C2CCCCN2)c1O.
What is the InChIKey of 4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol?
The InChIKey is YIGVKFJNCOTNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-17-9-6-7(13)11(14)10(12(9)16)8-4-2-3-5-15-8/h6,8,15-16H,2-5H2,1H3.
What are the key properties of 4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol?
4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol has a molecular weight of 304.16 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol is sourced from PubChem (CID 117489094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).