3-bromo-5-methyl-4-piperidin-3-ylpyridine

C11H15BrN2 — CID 84708530

IUPAC3-bromo-5-methyl-4-piperidin-3-ylpyridine
SMILESCc1cncc(Br)c1C1CCCNC1
InChIInChI=1S/C11H15BrN2/c1-8-5-14-7-10(12)11(8)9-3-2-4-13-6-9/h5,7,9,13H,2-4,6H2,1H3
InChIKeyOKTWCHDTNLGUBS-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.62
Rot. Bonds1

About 3-bromo-5-methyl-4-piperidin-3-ylpyridine

3-bromo-5-methyl-4-piperidin-3-ylpyridine (PubChem CID 84708530) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 3-bromo-5-methyl-4-piperidin-3-ylpyridine.

Molecular Properties

Compound Name3-bromo-5-methyl-4-piperidin-3-ylpyridine
PubChem CID84708530
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name3-bromo-5-methyl-4-piperidin-3-ylpyridine
SMILESCc1cncc(Br)c1C1CCCNC1
InChIInChI=1S/C11H15BrN2/c1-8-5-14-7-10(12)11(8)9-3-2-4-13-6-9/h5,7,9,13H,2-4,6H2,1H3
InChIKeyOKTWCHDTNLGUBS-UHFFFAOYSA-N
XLogP2.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-methyl-4-pyrrolidin-3-ylpyridine
CID 84702437
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
3-(3-bromo-4-methylphenyl)piperidine
CID 82381644
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
CID 117480622
2,4-dimethyl-5-piperidin-3-ylpyridine
CID 83829631
3-(2-bromo-6-methylphenyl)pyrrolidine
CID 117103930
3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117499540
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
(3S)-3-(3-bromo-2-methylphenyl)piperidine
CID 130792046
3-(2-chloro-4,6-dimethylphenyl)piperidine
CID 84789545
2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
CID 115048783
4-bromo-2-methoxy-3-piperidin-3-ylphenol
CID 117460905

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-4-piperidin-3-ylpyridine?
The IUPAC name of 3-bromo-5-methyl-4-piperidin-3-ylpyridine (CID 84708530) is 3-bromo-5-methyl-4-piperidin-3-ylpyridine.
What is the SMILES notation for 3-bromo-5-methyl-4-piperidin-3-ylpyridine?
The canonical SMILES for 3-bromo-5-methyl-4-piperidin-3-ylpyridine is Cc1cncc(Br)c1C1CCCNC1.
What is the InChIKey of 3-bromo-5-methyl-4-piperidin-3-ylpyridine?
The InChIKey is OKTWCHDTNLGUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-8-5-14-7-10(12)11(8)9-3-2-4-13-6-9/h5,7,9,13H,2-4,6H2,1H3.
What are the key properties of 3-bromo-5-methyl-4-piperidin-3-ylpyridine?
3-bromo-5-methyl-4-piperidin-3-ylpyridine has a molecular weight of 255.16 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-4-piperidin-3-ylpyridine is sourced from PubChem (CID 84708530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).