Tert-butyl formate;(2S)-2-ethylpiperazine

C₁₁H₂₄N₂O₂ — CID 174740431

About Tert-butyl formate;(2S)-2-ethylpiperazine

Tert-butyl formate;(2S)-2-ethylpiperazine (PubChem CID 174740431) has the molecular formula C₁₁H₂₄N₂O₂ and a molecular weight of 216.32 g/mol. Its IUPAC name is tert-butyl formate;(2S)-2-ethylpiperazine.

Molecular Properties

• Compound Name: Tert-butyl formate;(2S)-2-ethylpiperazine
• PubChem CID: 174740431
• Molecular Formula: C₁₁H₂₄N₂O₂
• Molecular Weight: 216.32 g/mol
• Exact Mass: 216.18
• IUPAC Name: tert-butyl formate;(2S)-2-ethylpiperazine
• SMILES: CC(C)(C)OC=O.CC[C@H]1CNCCN1
• InChI: InChI=1S/C6H14N2.C5H10O2/c1-2-6-5-7-3-4-8-6;1-5(2,3)7-4-6/h6-8H,2-5H2,1H3;4H,1-3H3/t6-;/m0./s1
• InChIKey: QGGYGBRIRIALHT-RGMNGODLSA-N
• XLogP: 0.92
• TPSA: 50.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	216.32
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tert-butyl formate;(2S)-2-ethylpiperazine?

The IUPAC name of Tert-butyl formate;(2S)-2-ethylpiperazine (CID 174740431) is tert-butyl formate;(2S)-2-ethylpiperazine.

What is the SMILES notation for Tert-butyl formate;(2S)-2-ethylpiperazine?

The canonical SMILES for Tert-butyl formate;(2S)-2-ethylpiperazine is CC(C)(C)OC=O.CC[C@H]1CNCCN1.

What is the InChIKey of Tert-butyl formate;(2S)-2-ethylpiperazine?

The InChIKey is QGGYGBRIRIALHT-RGMNGODLSA-N. The full InChI is InChI=1S/C6H14N2.C5H10O2/c1-2-6-5-7-3-4-8-6;1-5(2,3)7-4-6/h6-8H,2-5H2,1H3;4H,1-3H3/t6-;/m0./s1.

What are the key properties of Tert-butyl formate;(2S)-2-ethylpiperazine?

Tert-butyl formate;(2S)-2-ethylpiperazine has a molecular weight of 216.32 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl formate;(2S)-2-ethylpiperazine is sourced from PubChem (CID 174740431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174740431 — identifiers, structure, computed properties (public domain)

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