2-(6-bromo-2,3-dimethoxyphenyl)piperidine

C13H18BrNO2 — CID 117483535

IUPAC2-(6-bromo-2,3-dimethoxyphenyl)piperidine
SMILESCOc1ccc(Br)c(C2CCCCN2)c1OC
InChIInChI=1S/C13H18BrNO2/c1-16-11-7-6-9(14)12(13(11)17-2)10-5-3-4-8-15-10/h6-7,10,15H,3-5,8H2,1-2H3
InChIKeyKRNBXIFUOPZDAV-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.28
Rot. Bonds3

About 2-(6-bromo-2,3-dimethoxyphenyl)piperidine

2-(6-bromo-2,3-dimethoxyphenyl)piperidine (PubChem CID 117483535) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dimethoxyphenyl)piperidine.

Molecular Properties

Compound Name2-(6-bromo-2,3-dimethoxyphenyl)piperidine
PubChem CID117483535
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-(6-bromo-2,3-dimethoxyphenyl)piperidine
SMILESCOc1ccc(Br)c(C2CCCCN2)c1OC
InChIInChI=1S/C13H18BrNO2/c1-16-11-7-6-9(14)12(13(11)17-2)10-5-3-4-8-15-10/h6-7,10,15H,3-5,8H2,1-2H3
InChIKeyKRNBXIFUOPZDAV-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-2-fluoro-3-methoxyphenyl)piperidine
CID 117465054
2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine
CID 84814358
2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine
CID 84713802
2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465059
2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine
CID 117499567
2-(2-bromo-6-methoxy-3-methylphenyl)piperidine
CID 84813026
2-(2,3,4-trimethoxyphenyl)azepane
CID 62543922
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
2-(2-chloro-3,6-dimethoxyphenyl)piperidine
CID 117392632
2-(3-bromo-5-fluoro-2-methoxy-6-methylphenyl)piperidine
CID 117486587
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
5-bromo-2,3-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117486236

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dimethoxyphenyl)piperidine?
The IUPAC name of 2-(6-bromo-2,3-dimethoxyphenyl)piperidine (CID 117483535) is 2-(6-bromo-2,3-dimethoxyphenyl)piperidine.
What is the SMILES notation for 2-(6-bromo-2,3-dimethoxyphenyl)piperidine?
The canonical SMILES for 2-(6-bromo-2,3-dimethoxyphenyl)piperidine is COc1ccc(Br)c(C2CCCCN2)c1OC.
What is the InChIKey of 2-(6-bromo-2,3-dimethoxyphenyl)piperidine?
The InChIKey is KRNBXIFUOPZDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-16-11-7-6-9(14)12(13(11)17-2)10-5-3-4-8-15-10/h6-7,10,15H,3-5,8H2,1-2H3.
What are the key properties of 2-(6-bromo-2,3-dimethoxyphenyl)piperidine?
2-(6-bromo-2,3-dimethoxyphenyl)piperidine has a molecular weight of 300.20 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dimethoxyphenyl)piperidine is sourced from PubChem (CID 117483535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).