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

C12H15BrFNO2 — CID 117489228

IUPAC4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol
SMILESCOc1c(Br)cc(C2CCNCC2)c(O)c1F
InChIInChI=1S/C12H15BrFNO2/c1-17-12-9(13)6-8(11(16)10(12)14)7-2-4-15-5-3-7/h6-7,15-16H,2-5H2,1H3
InChIKeyUGTOUDZPBRWOES-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.77
Rot. Bonds2

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

4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol (PubChem CID 117489228) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol.

Molecular Properties

Compound Name4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol
PubChem CID117489228
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol
SMILESCOc1c(Br)cc(C2CCNCC2)c(O)c1F
InChIInChI=1S/C12H15BrFNO2/c1-17-12-9(13)6-8(11(16)10(12)14)7-2-4-15-5-3-7/h6-7,15-16H,2-5H2,1H3
InChIKeyUGTOUDZPBRWOES-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

Analyze 4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol
CID 84799689
5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol
CID 117489232
5-bromo-4-fluoro-2-methoxy-3-piperidin-4-ylphenol
CID 117489235
4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol
CID 117491089
2-bromo-4-fluoro-6-piperidin-4-ylphenol
CID 84713813
2,6-difluoro-3-methoxy-4-pyrrolidin-3-ylphenol
CID 84792614
2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol
CID 117465152
4-(4-bromo-2,3-dimethoxy-6-methylphenyl)piperidine
CID 117499637
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537
4-bromo-6-chloro-2-fluoro-3-methoxyphenol
CID 84805039
6-amino-4-bromo-2-fluoro-3-methoxyphenol
CID 84797950
4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465158

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol?
The IUPAC name of 4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol (CID 117489228) is 4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol.
What is the SMILES notation for 4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol?
The canonical SMILES for 4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol is COc1c(Br)cc(C2CCNCC2)c(O)c1F.
What is the InChIKey of 4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol?
The InChIKey is UGTOUDZPBRWOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-17-12-9(13)6-8(11(16)10(12)14)7-2-4-15-5-3-7/h6-7,15-16H,2-5H2,1H3.
What are the key properties of 4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol?
4-bromo-2-fluoro-3-methoxy-6-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 4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol is sourced from PubChem (CID 117489228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).