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

C12H16BrNO2 — CID 117460908

IUPAC2-bromo-4-methoxy-6-piperidin-3-ylphenol
SMILESCOc1cc(Br)c(O)c(C2CCCNC2)c1
InChIInChI=1S/C12H16BrNO2/c1-16-9-5-10(12(15)11(13)6-9)8-3-2-4-14-7-8/h5-6,8,14-15H,2-4,7H2,1H3
InChIKeyLLBNMEVZZUSRND-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.63
Rot. Bonds2

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

2-bromo-4-methoxy-6-piperidin-3-ylphenol (PubChem CID 117460908) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-4-methoxy-6-piperidin-3-ylphenol.

Molecular Properties

Compound Name2-bromo-4-methoxy-6-piperidin-3-ylphenol
PubChem CID117460908
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-bromo-4-methoxy-6-piperidin-3-ylphenol
SMILESCOc1cc(Br)c(O)c(C2CCCNC2)c1
InChIInChI=1S/C12H16BrNO2/c1-16-9-5-10(12(15)11(13)6-9)8-3-2-4-14-7-8/h5-6,8,14-15H,2-4,7H2,1H3
InChIKeyLLBNMEVZZUSRND-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

Analyze 2-bromo-4-methoxy-6-piperidin-3-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

(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
2-[(2S)-azetidin-2-yl]-6-bromo-4-methoxyphenol
CID 130725443
3-[2,5-dimethoxy-3-(methoxymethyl)phenyl]piperidine
CID 117417679
3-(2-bromo-5-methoxyphenyl)pyrrolidine
CID 83730911
4-hydroxy-3-methoxy-5-piperidin-3-ylbenzoic acid
CID 117380991
4-methoxy-3-piperidin-3-ylphenol
CID 117296244
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)piperidine
CID 117497482
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620
3-(3-bromo-2-methoxy-4-methylphenyl)piperidine
CID 115004613
3-(4-methoxyphenyl)piperidine
CID 12937920
2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol
CID 84790142

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-6-piperidin-3-ylphenol?
The IUPAC name of 2-bromo-4-methoxy-6-piperidin-3-ylphenol (CID 117460908) is 2-bromo-4-methoxy-6-piperidin-3-ylphenol.
What is the SMILES notation for 2-bromo-4-methoxy-6-piperidin-3-ylphenol?
The canonical SMILES for 2-bromo-4-methoxy-6-piperidin-3-ylphenol is COc1cc(Br)c(O)c(C2CCCNC2)c1.
What is the InChIKey of 2-bromo-4-methoxy-6-piperidin-3-ylphenol?
The InChIKey is LLBNMEVZZUSRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-16-9-5-10(12(15)11(13)6-9)8-3-2-4-14-7-8/h5-6,8,14-15H,2-4,7H2,1H3.
What are the key properties of 2-bromo-4-methoxy-6-piperidin-3-ylphenol?
2-bromo-4-methoxy-6-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 2-bromo-4-methoxy-6-piperidin-3-ylphenol is sourced from PubChem (CID 117460908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).