4-(4-bromo-2,5-dimethylphenyl)piperidine

C13H18BrN — CID 84808321

IUPAC4-(4-bromo-2,5-dimethylphenyl)piperidine
SMILESCc1cc(C2CCNCC2)c(C)cc1Br
InChIInChI=1S/C13H18BrN/c1-9-8-13(14)10(2)7-12(9)11-3-5-15-6-4-11/h7-8,11,15H,3-6H2,1-2H3
InChIKeyPFNFERFQDOAKJB-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.53
Rot. Bonds1

About 4-(4-bromo-2,5-dimethylphenyl)piperidine

4-(4-bromo-2,5-dimethylphenyl)piperidine (PubChem CID 84808321) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 4-(4-bromo-2,5-dimethylphenyl)piperidine.

Molecular Properties

Compound Name4-(4-bromo-2,5-dimethylphenyl)piperidine
PubChem CID84808321
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name4-(4-bromo-2,5-dimethylphenyl)piperidine
SMILESCc1cc(C2CCNCC2)c(C)cc1Br
InChIInChI=1S/C13H18BrN/c1-9-8-13(14)10(2)7-12(9)11-3-5-15-6-4-11/h7-8,11,15H,3-6H2,1-2H3
InChIKeyPFNFERFQDOAKJB-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4,5-dichloro-2-methylphenyl)piperidine
CID 84802563
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537
2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol
CID 117465152
4-(4-bromo-2,5-dimethylphenoxy)piperidine
CID 84715274
2-chloro-4-methyl-5-piperidin-4-ylphenol
CID 84790670
2,3,6-trimethyl-4-piperidin-4-ylphenol
CID 117116552
4-(4-bromo-2,3-dimethoxy-6-methylphenyl)piperidine
CID 117499637
2-ethyl-5-methyl-4-piperidin-4-ylphenol
CID 117313060
4-(2,3,5-trimethylphenyl)piperidine
CID 117292122
3-(4-chloro-2,5-dimethylphenyl)pyrrolidine
CID 84781090
3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772856
4-(4-ethoxy-2,5-dimethylphenyl)azepane
CID 82296026

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,5-dimethylphenyl)piperidine?
The IUPAC name of 4-(4-bromo-2,5-dimethylphenyl)piperidine (CID 84808321) is 4-(4-bromo-2,5-dimethylphenyl)piperidine.
What is the SMILES notation for 4-(4-bromo-2,5-dimethylphenyl)piperidine?
The canonical SMILES for 4-(4-bromo-2,5-dimethylphenyl)piperidine is Cc1cc(C2CCNCC2)c(C)cc1Br.
What is the InChIKey of 4-(4-bromo-2,5-dimethylphenyl)piperidine?
The InChIKey is PFNFERFQDOAKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-9-8-13(14)10(2)7-12(9)11-3-5-15-6-4-11/h7-8,11,15H,3-6H2,1-2H3.
What are the key properties of 4-(4-bromo-2,5-dimethylphenyl)piperidine?
4-(4-bromo-2,5-dimethylphenyl)piperidine has a molecular weight of 268.20 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,5-dimethylphenyl)piperidine is sourced from PubChem (CID 84808321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).