2-(2-bromo-6-methoxy-3-methylphenyl)piperidine

C13H18BrNO — CID 84813026

IUPAC2-(2-bromo-6-methoxy-3-methylphenyl)piperidine
SMILESCOc1ccc(C)c(Br)c1C1CCCCN1
InChIInChI=1S/C13H18BrNO/c1-9-6-7-11(16-2)12(13(9)14)10-5-3-4-8-15-10/h6-7,10,15H,3-5,8H2,1-2H3
InChIKeyCHBOYIYXYYIHOG-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.58
Rot. Bonds2

About 2-(2-bromo-6-methoxy-3-methylphenyl)piperidine

2-(2-bromo-6-methoxy-3-methylphenyl)piperidine (PubChem CID 84813026) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-(2-bromo-6-methoxy-3-methylphenyl)piperidine.

Molecular Properties

Compound Name2-(2-bromo-6-methoxy-3-methylphenyl)piperidine
PubChem CID84813026
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-(2-bromo-6-methoxy-3-methylphenyl)piperidine
SMILESCOc1ccc(C)c(Br)c1C1CCCCN1
InChIInChI=1S/C13H18BrNO/c1-9-6-7-11(16-2)12(13(9)14)10-5-3-4-8-15-10/h6-7,10,15H,3-5,8H2,1-2H3
InChIKeyCHBOYIYXYYIHOG-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine
CID 117499567
2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine
CID 84814358
2-(2-chloro-3,6-dimethoxyphenyl)piperidine
CID 117392632
3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole
CID 84646082
2-(6-bromo-2,3-dimethoxyphenyl)piperidine
CID 117483535
2-(6-bromo-2-fluoro-3-methoxyphenyl)piperidine
CID 117465054
2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine
CID 84709372
6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131252293
3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine
CID 84808969
2-(2-bromo-3-methoxyphenyl)piperidine
CID 84712674
2-(5-methoxy-2,3-dihydro-1H-inden-4-yl)pyrrolidine
CID 77131665
2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine
CID 84713802

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-methoxy-3-methylphenyl)piperidine?
The IUPAC name of 2-(2-bromo-6-methoxy-3-methylphenyl)piperidine (CID 84813026) is 2-(2-bromo-6-methoxy-3-methylphenyl)piperidine.
What is the SMILES notation for 2-(2-bromo-6-methoxy-3-methylphenyl)piperidine?
The canonical SMILES for 2-(2-bromo-6-methoxy-3-methylphenyl)piperidine is COc1ccc(C)c(Br)c1C1CCCCN1.
What is the InChIKey of 2-(2-bromo-6-methoxy-3-methylphenyl)piperidine?
The InChIKey is CHBOYIYXYYIHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-6-7-11(16-2)12(13(9)14)10-5-3-4-8-15-10/h6-7,10,15H,3-5,8H2,1-2H3.
What are the key properties of 2-(2-bromo-6-methoxy-3-methylphenyl)piperidine?
2-(2-bromo-6-methoxy-3-methylphenyl)piperidine has a molecular weight of 284.20 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-methoxy-3-methylphenyl)piperidine is sourced from PubChem (CID 84813026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).