1-(2-piperidin-4-ylethyl)-2H-pyridine

C₁₂H₂₀N₂ — CID 141096626

About 1-(2-piperidin-4-ylethyl)-2H-pyridine

1-(2-piperidin-4-ylethyl)-2H-pyridine (PubChem CID 141096626) has the molecular formula C₁₂H₂₀N₂ and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(2-piperidin-4-ylethyl)-2H-pyridine.

Molecular Properties

• Compound Name: 1-(2-piperidin-4-ylethyl)-2H-pyridine
• PubChem CID: 141096626
• Molecular Formula: C₁₂H₂₀N₂
• Molecular Weight: 192.31 g/mol
• Exact Mass: 192.16
• IUPAC Name: 1-(2-piperidin-4-ylethyl)-2H-pyridine
• SMILES: C1=CCN(CCC2CCNCC2)C=C1
• InChI: InChI=1S/C12H20N2/c1-2-9-14(10-3-1)11-6-12-4-7-13-8-5-12/h1-3,9,12-13H,4-8,10-11H2
• InChIKey: LPPOPFOWKDHEBY-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.31
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-ylethyl)-2H-pyridine?

The IUPAC name of 1-(2-piperidin-4-ylethyl)-2H-pyridine (CID 141096626) is 1-(2-piperidin-4-ylethyl)-2H-pyridine.

What is the SMILES notation for 1-(2-piperidin-4-ylethyl)-2H-pyridine?

The canonical SMILES for 1-(2-piperidin-4-ylethyl)-2H-pyridine is C1=CCN(CCC2CCNCC2)C=C1.

What is the InChIKey of 1-(2-piperidin-4-ylethyl)-2H-pyridine?

The InChIKey is LPPOPFOWKDHEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-9-14(10-3-1)11-6-12-4-7-13-8-5-12/h1-3,9,12-13H,4-8,10-11H2.

What are the key properties of 1-(2-piperidin-4-ylethyl)-2H-pyridine?

1-(2-piperidin-4-ylethyl)-2H-pyridine has a molecular weight of 192.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-piperidin-4-ylethyl)-2H-pyridine is sourced from PubChem (CID 141096626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141096626 — identifiers, structure, computed properties (public domain)

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