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

C12H16BrNO2 — CID 117460905

IUPAC4-bromo-2-methoxy-3-piperidin-3-ylphenol
SMILESCOc1c(O)ccc(Br)c1C1CCCNC1
InChIInChI=1S/C12H16BrNO2/c1-16-12-10(15)5-4-9(13)11(12)8-3-2-6-14-7-8/h4-5,8,14-15H,2-3,6-7H2,1H3
InChIKeyCGVDXCHHTWNNIO-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.63
Rot. Bonds2

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

4-bromo-2-methoxy-3-piperidin-3-ylphenol (PubChem CID 117460905) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-bromo-2-methoxy-3-piperidin-3-ylphenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-3-piperidin-3-ylphenol
PubChem CID117460905
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name4-bromo-2-methoxy-3-piperidin-3-ylphenol
SMILESCOc1c(O)ccc(Br)c1C1CCCNC1
InChIInChI=1S/C12H16BrNO2/c1-16-12-10(15)5-4-9(13)11(12)8-3-2-6-14-7-8/h4-5,8,14-15H,2-3,6-7H2,1H3
InChIKeyCGVDXCHHTWNNIO-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
CID 117480622
2-bromo-4-methoxy-6-piperidin-3-ylphenol
CID 117460908
3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117499540
3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
CID 117392624
3-(3-bromo-2-methoxy-4-methylphenyl)piperidine
CID 115004613
3-(6-ethyl-2,3-dimethoxyphenyl)piperidine
CID 117376940
4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol
CID 84710037
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
3-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)piperidine
CID 117431014
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117497482
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-3-piperidin-3-ylphenol?
The IUPAC name of 4-bromo-2-methoxy-3-piperidin-3-ylphenol (CID 117460905) is 4-bromo-2-methoxy-3-piperidin-3-ylphenol.
What is the SMILES notation for 4-bromo-2-methoxy-3-piperidin-3-ylphenol?
The canonical SMILES for 4-bromo-2-methoxy-3-piperidin-3-ylphenol is COc1c(O)ccc(Br)c1C1CCCNC1.
What is the InChIKey of 4-bromo-2-methoxy-3-piperidin-3-ylphenol?
The InChIKey is CGVDXCHHTWNNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-16-12-10(15)5-4-9(13)11(12)8-3-2-6-14-7-8/h4-5,8,14-15H,2-3,6-7H2,1H3.
What are the key properties of 4-bromo-2-methoxy-3-piperidin-3-ylphenol?
4-bromo-2-methoxy-3-piperidin-3-ylphenol has a molecular weight of 286.17 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-3-piperidin-3-ylphenol is sourced from PubChem (CID 117460905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).