3-(3-bromo-2-methoxy-4-methylphenyl)piperidine

C13H18BrNO — CID 115004613

IUPAC3-(3-bromo-2-methoxy-4-methylphenyl)piperidine
SMILESCOc1c(C2CCCNC2)ccc(C)c1Br
InChIInChI=1S/C13H18BrNO/c1-9-5-6-11(13(16-2)12(9)14)10-4-3-7-15-8-10/h5-6,10,15H,3-4,7-8H2,1-2H3
InChIKeyVYSVCUMQPXRHME-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.23
Rot. Bonds2

About 3-(3-bromo-2-methoxy-4-methylphenyl)piperidine

3-(3-bromo-2-methoxy-4-methylphenyl)piperidine (PubChem CID 115004613) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-(3-bromo-2-methoxy-4-methylphenyl)piperidine.

Molecular Properties

Compound Name3-(3-bromo-2-methoxy-4-methylphenyl)piperidine
PubChem CID115004613
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-(3-bromo-2-methoxy-4-methylphenyl)piperidine
SMILESCOc1c(C2CCCNC2)ccc(C)c1Br
InChIInChI=1S/C13H18BrNO/c1-9-5-6-11(13(16-2)12(9)14)10-4-3-7-15-8-10/h5-6,10,15H,3-4,7-8H2,1-2H3
InChIKeyVYSVCUMQPXRHME-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620
2-methoxy-3-piperidin-3-ylaniline
CID 174616983
3-(3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117293921
3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422244
3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117499540
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 117457157
3-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)pyrrolidine
CID 117465146
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
CID 117480622
(3S)-3-(3-bromo-2-methylphenyl)piperidine
CID 130792046
2-bromo-4-methoxy-6-piperidin-3-ylphenol
CID 117460908
4-(2,4-dimethoxy-3-methylphenyl)azepane
CID 82297126

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-methoxy-4-methylphenyl)piperidine?
The IUPAC name of 3-(3-bromo-2-methoxy-4-methylphenyl)piperidine (CID 115004613) is 3-(3-bromo-2-methoxy-4-methylphenyl)piperidine.
What is the SMILES notation for 3-(3-bromo-2-methoxy-4-methylphenyl)piperidine?
The canonical SMILES for 3-(3-bromo-2-methoxy-4-methylphenyl)piperidine is COc1c(C2CCCNC2)ccc(C)c1Br.
What is the InChIKey of 3-(3-bromo-2-methoxy-4-methylphenyl)piperidine?
The InChIKey is VYSVCUMQPXRHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-5-6-11(13(16-2)12(9)14)10-4-3-7-15-8-10/h5-6,10,15H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(3-bromo-2-methoxy-4-methylphenyl)piperidine?
3-(3-bromo-2-methoxy-4-methylphenyl)piperidine has a molecular weight of 284.20 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-methoxy-4-methylphenyl)piperidine is sourced from PubChem (CID 115004613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).