2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine

C₁₃H₂₂N₄ — CID 116946629

About 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine

2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine (PubChem CID 116946629) has the molecular formula C₁₃H₂₂N₄ and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

• Compound Name: 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
• PubChem CID: 116946629
• Molecular Formula: C₁₃H₂₂N₄
• Molecular Weight: 234.35 g/mol
• Exact Mass: 234.18
• IUPAC Name: 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
• SMILES: CC(CN1CCNCC1)C(N)c1ccncc1
• InChI: InChI=1S/C13H22N4/c1-11(10-17-8-6-16-7-9-17)13(14)12-2-4-15-5-3-12/h2-5,11,13,16H,6-10,14H2,1H3
• InChIKey: DUCSPOAHHPINFA-UHFFFAOYSA-N
• XLogP: 0.62
• TPSA: 54.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.35
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine?

The IUPAC name of 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine (CID 116946629) is 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine.

What is the SMILES notation for 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine?

The canonical SMILES for 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine is CC(CN1CCNCC1)C(N)c1ccncc1.

What is the InChIKey of 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine?

The InChIKey is DUCSPOAHHPINFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(10-17-8-6-16-7-9-17)13(14)12-2-4-15-5-3-12/h2-5,11,13,16H,6-10,14H2,1H3.

What are the key properties of 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine?

2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 116946629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 116946629 — identifiers, structure, computed properties (public domain)

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