5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine

C15H23BrN4 — CID 61227700

IUPAC5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine
SMILESNc1cc(Br)cnc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H23BrN4/c16-12-10-14(17)15(18-11-12)20-8-4-13(5-9-20)19-6-2-1-3-7-19/h10-11,13H,1-9,17H2
InChIKeyVGNRMYHOEKPEMR-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.88
Rot. Bonds2

About 5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine

5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine (PubChem CID 61227700) has the molecular formula C15H23BrN4 and a molecular weight of 339.28 g/mol. Its IUPAC name is 5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine
PubChem CID61227700
Molecular FormulaC15H23BrN4
Molecular Weight339.28 g/mol
Exact Mass338.11
IUPAC Name5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine
SMILESNc1cc(Br)cnc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H23BrN4/c16-12-10-14(17)15(18-11-12)20-8-4-13(5-9-20)19-6-2-1-3-7-19/h10-11,13H,1-9,17H2
InChIKeyVGNRMYHOEKPEMR-UHFFFAOYSA-N
XLogP2.88
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine (CID 61227700) is 5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine is Nc1cc(Br)cnc1N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine?
The InChIKey is VGNRMYHOEKPEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4/c16-12-10-14(17)15(18-11-12)20-8-4-13(5-9-20)19-6-2-1-3-7-19/h10-11,13H,1-9,17H2.
What are the key properties of 5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine?
5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine has a molecular weight of 339.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine is sourced from PubChem (CID 61227700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).