[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine

C13H20BrN3 — CID 105367345

IUPAC[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine
SMILESCc1cnc(N2CCCC(C)C2CN)c(Br)c1
InChIInChI=1S/C13H20BrN3/c1-9-6-11(14)13(16-8-9)17-5-3-4-10(2)12(17)7-15/h6,8,10,12H,3-5,7,15H2,1-2H3
InChIKeyJOOUPXCYDOQAPH-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.72
Rot. Bonds2

About [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine

[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine (PubChem CID 105367345) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine
PubChem CID105367345
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine
SMILESCc1cnc(N2CCCC(C)C2CN)c(Br)c1
InChIInChI=1S/C13H20BrN3/c1-9-6-11(14)13(16-8-9)17-5-3-4-10(2)12(17)7-15/h6,8,10,12H,3-5,7,15H2,1-2H3
InChIKeyJOOUPXCYDOQAPH-UHFFFAOYSA-N
XLogP2.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine
CID 102784195
3-bromo-5-methyl-2-(2-methylpyrrolidin-1-yl)pyridine
CID 105367577
1-(3-bromo-5-methyl-2-pyridinyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 105367974
[1-(6-methoxypyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine
CID 66317614
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 105367346
3-bromo-5-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine
CID 105367698
[1-(6-ethoxy-5-methylpyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine
CID 66327192
4-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-bromobenzonitrile
CID 107280736
1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane
CID 105367961
[1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine
CID 114787115
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 105367514
2-[4-(3-bromo-5-methyl-2-pyridinyl)piperazin-1-yl]ethanamine
CID 82167516

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine (CID 105367345) is [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine is Cc1cnc(N2CCCC(C)C2CN)c(Br)c1.
What is the InChIKey of [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine?
The InChIKey is JOOUPXCYDOQAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-9-6-11(14)13(16-8-9)17-5-3-4-10(2)12(17)7-15/h6,8,10,12H,3-5,7,15H2,1-2H3.
What are the key properties of [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine?
[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine has a molecular weight of 298.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 105367345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).