Decanoic acid;piperidine

C₁₅H₃₁NO₂ — CID 173189306

About Decanoic acid;piperidine

Decanoic acid;piperidine (PubChem CID 173189306) has the molecular formula C₁₅H₃₁NO₂ and a molecular weight of 257.42 g/mol. Its IUPAC name is decanoic acid;piperidine.

Molecular Properties

• Compound Name: Decanoic acid;piperidine
• PubChem CID: 173189306
• Molecular Formula: C₁₅H₃₁NO₂
• Molecular Weight: 257.42 g/mol
• Exact Mass: 257.24
• IUPAC Name: decanoic acid;piperidine
• SMILES: C1CCNCC1.CCCCCCCCCC(=O)O
• InChI: InChI=1S/C10H20O2.C5H11N/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-4-6-5-3-1/h2-9H2,1H3,(H,11,12);6H,1-5H2
• InChIKey: MPVJKNUBHTTYFY-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	257.42
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Decanoic acid;piperidine?

The IUPAC name of Decanoic acid;piperidine (CID 173189306) is decanoic acid;piperidine.

What is the SMILES notation for Decanoic acid;piperidine?

The canonical SMILES for Decanoic acid;piperidine is C1CCNCC1.CCCCCCCCCC(=O)O.

What is the InChIKey of Decanoic acid;piperidine?

The InChIKey is MPVJKNUBHTTYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C5H11N/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-4-6-5-3-1/h2-9H2,1H3,(H,11,12);6H,1-5H2.

What are the key properties of Decanoic acid;piperidine?

Decanoic acid;piperidine has a molecular weight of 257.42 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Decanoic acid;piperidine is sourced from PubChem (CID 173189306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173189306 — identifiers, structure, computed properties (public domain)

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