6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine

C12H20N3O+ — CID 163791396

IUPAC6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine
SMILESCOc1ccc(N)c(N2CCCC(C)C2)[nH+]1
InChIInChI=1S/C12H19N3O/c1-9-4-3-7-15(8-9)12-10(13)5-6-11(14-12)16-2/h5-6,9H,3-4,7-8,13H2,1-2H3/p+1
InChIKeyMXCFQCRBISNHBS-UHFFFAOYSA-O
MW222.31 g/mol
LogP1.33
Rot. Bonds2

About 6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine

6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine (PubChem CID 163791396) has the molecular formula C12H20N3O+ and a molecular weight of 222.31 g/mol. Its IUPAC name is 6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine.

Molecular Properties

Compound Name6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine
PubChem CID163791396
Molecular FormulaC12H20N3O+
Molecular Weight222.31 g/mol
Exact Mass222.16
IUPAC Name6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine
SMILESCOc1ccc(N)c(N2CCCC(C)C2)[nH+]1
InChIInChI=1S/C12H19N3O/c1-9-4-3-7-15(8-9)12-10(13)5-6-11(14-12)16-2/h5-6,9H,3-4,7-8,13H2,1-2H3/p+1
InChIKeyMXCFQCRBISNHBS-UHFFFAOYSA-O
XLogP1.33
TPSA52.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine?
The IUPAC name of 6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine (CID 163791396) is 6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine.
What is the SMILES notation for 6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine?
The canonical SMILES for 6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine is COc1ccc(N)c(N2CCCC(C)C2)[nH+]1.
What is the InChIKey of 6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine?
The InChIKey is MXCFQCRBISNHBS-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H19N3O/c1-9-4-3-7-15(8-9)12-10(13)5-6-11(14-12)16-2/h5-6,9H,3-4,7-8,13H2,1-2H3/p+1.
What are the key properties of 6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine?
6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine has a molecular weight of 222.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine is sourced from PubChem (CID 163791396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).