6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine

C12H19N3O — CID 102955729

IUPAC6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine
SMILESCOC1CCCN(c2ccc(N)c(C)n2)C1
InChIInChI=1S/C12H19N3O/c1-9-11(13)5-6-12(14-9)15-7-3-4-10(8-15)16-2/h5-6,10H,3-4,7-8,13H2,1-2H3
InChIKeyBHMMFUFTHQMIOX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.59
Rot. Bonds2

About 6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine

6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine (PubChem CID 102955729) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine
PubChem CID102955729
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine
SMILESCOC1CCCN(c2ccc(N)c(C)n2)C1
InChIInChI=1S/C12H19N3O/c1-9-11(13)5-6-12(14-9)15-7-3-4-10(8-15)16-2/h5-6,10H,3-4,7-8,13H2,1-2H3
InChIKeyBHMMFUFTHQMIOX-UHFFFAOYSA-N
XLogP1.59
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine?
The IUPAC name of 6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine (CID 102955729) is 6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine.
What is the SMILES notation for 6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine?
The canonical SMILES for 6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine is COC1CCCN(c2ccc(N)c(C)n2)C1.
What is the InChIKey of 6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine?
The InChIKey is BHMMFUFTHQMIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-11(13)5-6-12(14-9)15-7-3-4-10(8-15)16-2/h5-6,10H,3-4,7-8,13H2,1-2H3.
What are the key properties of 6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine?
6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine has a molecular weight of 221.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypiperidin-1-yl)-2-methylpyridin-3-amine is sourced from PubChem (CID 102955729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).