3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine

C13H19BrN2 — CID 105367629

IUPAC3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine
SMILESCc1cnc(N2CC(C)CC(C)C2)c(Br)c1
InChIInChI=1S/C13H19BrN2/c1-9-5-12(14)13(15-6-9)16-7-10(2)4-11(3)8-16/h5-6,10-11H,4,7-8H2,1-3H3
InChIKeyJQVHABDUGMNKGT-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.63
Rot. Bonds1

About 3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine

3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine (PubChem CID 105367629) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine
PubChem CID105367629
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine
SMILESCc1cnc(N2CC(C)CC(C)C2)c(Br)c1
InChIInChI=1S/C13H19BrN2/c1-9-5-12(14)13(15-6-9)16-7-10(2)4-11(3)8-16/h5-6,10-11H,4,7-8H2,1-3H3
InChIKeyJQVHABDUGMNKGT-UHFFFAOYSA-N
XLogP3.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine
CID 105368114
4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine
CID 105367957
1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol
CID 131165420
[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 105367527
(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine
CID 96944499
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine
CID 102937171
1-(3-bromo-5-chloro-2-pyridinyl)-5-methylpiperidin-3-amine
CID 114836358
4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 105367904
1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine
CID 105367783
6-(3,5-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine
CID 62476350
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 105367346

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine?
The IUPAC name of 3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine (CID 105367629) is 3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine.
What is the SMILES notation for 3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine?
The canonical SMILES for 3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine is Cc1cnc(N2CC(C)CC(C)C2)c(Br)c1.
What is the InChIKey of 3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine?
The InChIKey is JQVHABDUGMNKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-9-5-12(14)13(15-6-9)16-7-10(2)4-11(3)8-16/h5-6,10-11H,4,7-8H2,1-3H3.
What are the key properties of 3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine?
3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine has a molecular weight of 283.21 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine is sourced from PubChem (CID 105367629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).