2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine

C13H20BrN3 — CID 79718017

IUPAC2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
SMILESCc1cc(Br)cnc1N1CCCCC1CCN
InChIInChI=1S/C13H20BrN3/c1-10-8-11(14)9-16-13(10)17-7-3-2-4-12(17)5-6-15/h8-9,12H,2-7,15H2,1H3
InChIKeyYMEREXSUCLGLHN-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.86
Rot. Bonds3

About 2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine

2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine (PubChem CID 79718017) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
PubChem CID79718017
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
SMILESCc1cc(Br)cnc1N1CCCCC1CCN
InChIInChI=1S/C13H20BrN3/c1-10-8-11(14)9-16-13(10)17-7-3-2-4-12(17)5-6-15/h8-9,12H,2-7,15H2,1H3
InChIKeyYMEREXSUCLGLHN-UHFFFAOYSA-N
XLogP2.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine
CID 80676805
5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine
CID 79718453
5-bromo-2-(2-propylpiperidin-1-yl)pyridin-3-amine
CID 83052128
[1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine
CID 112622897
3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine
CID 106797220
2-(chloromethyl)-1-(3,5-dibromo-2-pyridinyl)azepane
CID 116638871
5-methyl-6-(2-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 83055806
N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 83045774
2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 116648606
ethyl 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 79718437
2-[2-(2-aminoethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboxamide
CID 63767584
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine?
The IUPAC name of 2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine (CID 79718017) is 2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine is Cc1cc(Br)cnc1N1CCCCC1CCN.
What is the InChIKey of 2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine?
The InChIKey is YMEREXSUCLGLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-10-8-11(14)9-16-13(10)17-7-3-2-4-12(17)5-6-15/h8-9,12H,2-7,15H2,1H3.
What are the key properties of 2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine?
2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine has a molecular weight of 298.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 79718017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).