2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine

C14H20BrNO2 — CID 117499567

IUPAC2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine
SMILESCOc1cc(C)c(Br)c(C2CCCCN2)c1OC
InChIInChI=1S/C14H20BrNO2/c1-9-8-11(17-2)14(18-3)12(13(9)15)10-6-4-5-7-16-10/h8,10,16H,4-7H2,1-3H3
InChIKeyZOKZEATWTQMWBJ-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.59
Rot. Bonds3

About 2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine

2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine (PubChem CID 117499567) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine.

Molecular Properties

Compound Name2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine
PubChem CID117499567
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine
SMILESCOc1cc(C)c(Br)c(C2CCCCN2)c1OC
InChIInChI=1S/C14H20BrNO2/c1-9-8-11(17-2)14(18-3)12(13(9)15)10-6-4-5-7-16-10/h8,10,16H,4-7H2,1-3H3
InChIKeyZOKZEATWTQMWBJ-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-6-methoxy-3-methylphenyl)piperidine
CID 84813026
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117427671
2-(6-bromo-2,3-dimethoxyphenyl)piperidine
CID 117483535
2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine
CID 116962291
2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116349
5-bromo-2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486236
3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol
CID 117432185
2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117486587
2-bromo-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486235
2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465059
3-bromo-5-fluoro-2-methoxy-4-piperidin-2-ylphenol
CID 117489090
(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride
CID 171195127

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine?
The IUPAC name of 2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine (CID 117499567) is 2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine.
What is the SMILES notation for 2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine?
The canonical SMILES for 2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine is COc1cc(C)c(Br)c(C2CCCCN2)c1OC.
What is the InChIKey of 2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine?
The InChIKey is ZOKZEATWTQMWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9-8-11(17-2)14(18-3)12(13(9)15)10-6-4-5-7-16-10/h8,10,16H,4-7H2,1-3H3.
What are the key properties of 2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine?
2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine has a molecular weight of 314.22 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine is sourced from PubChem (CID 117499567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).