5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine

C11H16BrN3O — CID 103517696

IUPAC5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine
SMILESCOC1CCN(c2c(N)cncc2Br)CC1
InChIInChI=1S/C11H16BrN3O/c1-16-8-2-4-15(5-3-8)11-9(12)6-14-7-10(11)13/h6-8H,2-5,13H2,1H3
InChIKeyZGSUEBSXZXCHJX-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.04
Rot. Bonds2

About 5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine

5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine (PubChem CID 103517696) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine
PubChem CID103517696
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine
SMILESCOC1CCN(c2c(N)cncc2Br)CC1
InChIInChI=1S/C11H16BrN3O/c1-16-8-2-4-15(5-3-8)11-9(12)6-14-7-10(11)13/h6-8H,2-5,13H2,1H3
InChIKeyZGSUEBSXZXCHJX-UHFFFAOYSA-N
XLogP2.04
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine (CID 103517696) is 5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine is COC1CCN(c2c(N)cncc2Br)CC1.
What is the InChIKey of 5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine?
The InChIKey is ZGSUEBSXZXCHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-16-8-2-4-15(5-3-8)11-9(12)6-14-7-10(11)13/h6-8H,2-5,13H2,1H3.
What are the key properties of 5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine?
5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine has a molecular weight of 286.17 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine is sourced from PubChem (CID 103517696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).