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

C14H20BrNO2 — CID 117499633

IUPAC4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine
SMILESCOc1cc(Br)c(C2CCNCC2)c(C)c1OC
InChIInChI=1S/C14H20BrNO2/c1-9-13(10-4-6-16-7-5-10)11(15)8-12(17-2)14(9)18-3/h8,10,16H,4-7H2,1-3H3
InChIKeyZYINSSUZPUAERY-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.24
Rot. Bonds3

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

4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine (PubChem CID 117499633) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine.

Molecular Properties

Compound Name4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine
PubChem CID117499633
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine
SMILESCOc1cc(Br)c(C2CCNCC2)c(C)c1OC
InChIInChI=1S/C14H20BrNO2/c1-9-13(10-4-6-16-7-5-10)11(15)8-12(17-2)14(9)18-3/h8,10,16H,4-7H2,1-3H3
InChIKeyZYINSSUZPUAERY-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-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine
CID 117489218
4-(4-bromo-2,3-dimethoxy-6-methylphenyl)piperidine
CID 117499637
4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine
CID 117480591
4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116557
4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465158
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-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
4-(3-chloro-2,4,5-trimethoxyphenyl)piperidine
CID 117460328
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
4-bromo-3-methyl-2-piperidin-4-ylphenol
CID 84712688

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine?
The IUPAC name of 4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine (CID 117499633) is 4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine.
What is the SMILES notation for 4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine?
The canonical SMILES for 4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine is COc1cc(Br)c(C2CCNCC2)c(C)c1OC.
What is the InChIKey of 4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine?
The InChIKey is ZYINSSUZPUAERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9-13(10-4-6-16-7-5-10)11(15)8-12(17-2)14(9)18-3/h8,10,16H,4-7H2,1-3H3.
What are the key properties of 4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine?
4-(6-bromo-3,4-dimethoxy-2-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 4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine is sourced from PubChem (CID 117499633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).