3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine

C14H20BrNO2 — CID 117499540

IUPAC3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
SMILESCOc1cc(C)c(OC)c(Br)c1C1CCCNC1
InChIInChI=1S/C14H20BrNO2/c1-9-7-11(17-2)12(13(15)14(9)18-3)10-5-4-6-16-8-10/h7,10,16H,4-6,8H2,1-3H3
InChIKeyFKKZYAXXCZUDJG-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.24
Rot. Bonds3

About 3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine

3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine (PubChem CID 117499540) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine.

Molecular Properties

Compound Name3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
PubChem CID117499540
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
SMILESCOc1cc(C)c(OC)c(Br)c1C1CCCNC1
InChIInChI=1S/C14H20BrNO2/c1-9-7-11(17-2)12(13(15)14(9)18-3)10-5-4-6-16-8-10/h7,10,16H,4-6,8H2,1-3H3
InChIKeyFKKZYAXXCZUDJG-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
CID 117480622
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
3-(3-bromo-2-methoxy-4-methylphenyl)piperidine
CID 115004613
3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine
CID 84808969
3-(3-bromo-5-methoxy-4-methylphenyl)piperidine
CID 117457367
3-chloro-2-methoxy-5-methyl-6-piperidin-3-ylphenol
CID 117392624
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
3-(4-bromo-3-methoxy-5-methylphenyl)pyrrolidine
CID 84808965

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine?
The IUPAC name of 3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine (CID 117499540) is 3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine.
What is the SMILES notation for 3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine?
The canonical SMILES for 3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine is COc1cc(C)c(OC)c(Br)c1C1CCCNC1.
What is the InChIKey of 3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine?
The InChIKey is FKKZYAXXCZUDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9-7-11(17-2)12(13(15)14(9)18-3)10-5-4-6-16-8-10/h7,10,16H,4-6,8H2,1-3H3.
What are the key properties of 3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine?
3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine has a molecular weight of 314.22 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine is sourced from PubChem (CID 117499540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).