Tert-butyl formate;piperazine

C₁₃H₃₀N₄O₂ — CID 159581918

About Tert-butyl formate;piperazine

Tert-butyl formate;piperazine (PubChem CID 159581918) has the molecular formula C₁₃H₃₀N₄O₂ and a molecular weight of 274.41 g/mol. Its IUPAC name is tert-butyl formate;piperazine.

Molecular Properties

• Compound Name: Tert-butyl formate;piperazine
• PubChem CID: 159581918
• Molecular Formula: C₁₃H₃₀N₄O₂
• Molecular Weight: 274.41 g/mol
• Exact Mass: 274.24
• IUPAC Name: tert-butyl formate;piperazine
• SMILES: C1CNCCN1.C1CNCCN1.CC(C)(C)OC=O
• InChI: InChI=1S/C5H10O2.2C4H10N2/c1-5(2,3)7-4-6;2*1-2-6-4-3-5-1/h4H,1-3H3;2*5-6H,1-4H2
• InChIKey: MJCWAISPCIJSSR-UHFFFAOYSA-N
• XLogP: -0.68
• TPSA: 74.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.41
LogP ≤ 5	-0.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tert-butyl formate;piperazine?

The IUPAC name of Tert-butyl formate;piperazine (CID 159581918) is tert-butyl formate;piperazine.

What is the SMILES notation for Tert-butyl formate;piperazine?

The canonical SMILES for Tert-butyl formate;piperazine is C1CNCCN1.C1CNCCN1.CC(C)(C)OC=O.

What is the InChIKey of Tert-butyl formate;piperazine?

The InChIKey is MJCWAISPCIJSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.2C4H10N2/c1-5(2,3)7-4-6;2*1-2-6-4-3-5-1/h4H,1-3H3;2*5-6H,1-4H2.

What are the key properties of Tert-butyl formate;piperazine?

Tert-butyl formate;piperazine has a molecular weight of 274.41 g/mol, XLogP of -0.68, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl formate;piperazine is sourced from PubChem (CID 159581918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159581918 — identifiers, structure, computed properties (public domain)

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