5-bromo-2-methyl-4-piperidin-1-ylpyridine

C11H15BrN2 — CID 19791137

IUPAC5-bromo-2-methyl-4-piperidin-1-ylpyridine
SMILESCc1cc(N2CCCCC2)c(Br)cn1
InChIInChI=1S/C11H15BrN2/c1-9-7-11(10(12)8-13-9)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3
InChIKeyZAIQFLZYGDWOEI-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.14
Rot. Bonds1

About 5-bromo-2-methyl-4-piperidin-1-ylpyridine

5-bromo-2-methyl-4-piperidin-1-ylpyridine (PubChem CID 19791137) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 5-bromo-2-methyl-4-piperidin-1-ylpyridine.

Molecular Properties

Compound Name5-bromo-2-methyl-4-piperidin-1-ylpyridine
PubChem CID19791137
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name5-bromo-2-methyl-4-piperidin-1-ylpyridine
SMILESCc1cc(N2CCCCC2)c(Br)cn1
InChIInChI=1S/C11H15BrN2/c1-9-7-11(10(12)8-13-9)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3
InChIKeyZAIQFLZYGDWOEI-UHFFFAOYSA-N
XLogP3.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-4-piperidin-1-ylpyridine?
The IUPAC name of 5-bromo-2-methyl-4-piperidin-1-ylpyridine (CID 19791137) is 5-bromo-2-methyl-4-piperidin-1-ylpyridine.
What is the SMILES notation for 5-bromo-2-methyl-4-piperidin-1-ylpyridine?
The canonical SMILES for 5-bromo-2-methyl-4-piperidin-1-ylpyridine is Cc1cc(N2CCCCC2)c(Br)cn1.
What is the InChIKey of 5-bromo-2-methyl-4-piperidin-1-ylpyridine?
The InChIKey is ZAIQFLZYGDWOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-9-7-11(10(12)8-13-9)14-5-3-2-4-6-14/h7-8H,2-6H2,1H3.
What are the key properties of 5-bromo-2-methyl-4-piperidin-1-ylpyridine?
5-bromo-2-methyl-4-piperidin-1-ylpyridine has a molecular weight of 255.16 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-4-piperidin-1-ylpyridine is sourced from PubChem (CID 19791137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).