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

C12H15BrFNO2 — CID 117489090

IUPAC3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol
SMILESCOc1c(O)cc(F)c(C2CCCCN2)c1Br
InChIInChI=1S/C12H15BrFNO2/c1-17-12-9(16)6-7(14)10(11(12)13)8-4-2-3-5-15-8/h6,8,15-16H,2-5H2,1H3
InChIKeyUBUQEMVBCIQBIN-UHFFFAOYSA-N
MW304.16 g/mol
LogP3.12
Rot. Bonds2

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

3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol (PubChem CID 117489090) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol.

Molecular Properties

Compound Name3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol
PubChem CID117489090
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol
SMILESCOc1c(O)cc(F)c(C2CCCCN2)c1Br
InChIInChI=1S/C12H15BrFNO2/c1-17-12-9(16)6-7(14)10(11(12)13)8-4-2-3-5-15-8/h6,8,15-16H,2-5H2,1H3
InChIKeyUBUQEMVBCIQBIN-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

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Related Compounds

2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117486587
2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465059
4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol
CID 117489094
5-bromo-3-fluoro-4-piperidin-2-ylbenzene-1,2-diol
CID 117468272
3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol
CID 117359415
2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine
CID 117499567
2-(3-chloro-2,5-difluoro-6-methoxyphenyl)piperidine
CID 117409057
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117397972
3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol
CID 117432185
2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116349
5-bromo-2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486236
2-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)piperidine
CID 117397971

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol?
The IUPAC name of 3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol (CID 117489090) is 3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol.
What is the SMILES notation for 3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol?
The canonical SMILES for 3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol is COc1c(O)cc(F)c(C2CCCCN2)c1Br.
What is the InChIKey of 3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol?
The InChIKey is UBUQEMVBCIQBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-17-12-9(16)6-7(14)10(11(12)13)8-4-2-3-5-15-8/h6,8,15-16H,2-5H2,1H3.
What are the key properties of 3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol?
3-bromo-5-fluoro-2-methoxy-4-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 3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol is sourced from PubChem (CID 117489090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).