Ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine

C₁₅H₃₀N₂ — CID 91221169

About Ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine

Ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine (PubChem CID 91221169) has the molecular formula C₁₅H₃₀N₂ and a molecular weight of 238.42 g/mol. Its IUPAC name is ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine.

Molecular Properties

• Compound Name: Ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine
• PubChem CID: 91221169
• Molecular Formula: C₁₅H₃₀N₂
• Molecular Weight: 238.42 g/mol
• Exact Mass: 238.24
• IUPAC Name: ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine
• SMILES: CC.CC.CC1C=CC(N2CCN(C)CC2)=C1
• InChI: InChI=1S/C11H18N2.2C2H6/c1-10-3-4-11(9-10)13-7-5-12(2)6-8-13;2*1-2/h3-4,9-10H,5-8H2,1-2H3;2*1-2H3
• InChIKey: WUXKILVTRAWZCV-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.42
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine?

The IUPAC name of Ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine (CID 91221169) is ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine.

What is the SMILES notation for Ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine?

The canonical SMILES for Ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine is CC.CC.CC1C=CC(N2CCN(C)CC2)=C1.

What is the InChIKey of Ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine?

The InChIKey is WUXKILVTRAWZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.2C2H6/c1-10-3-4-11(9-10)13-7-5-12(2)6-8-13;2*1-2/h3-4,9-10H,5-8H2,1-2H3;2*1-2H3.

What are the key properties of Ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine?

Ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine has a molecular weight of 238.42 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine is sourced from PubChem (CID 91221169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91221169 — identifiers, structure, computed properties (public domain)

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