1-(4-methylpiperazin-1-yl)-2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone

C26H46N4O — CID 6446869

About 1-(4-methylpiperazin-1-yl)-2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone

1-(4-methylpiperazin-1-yl)-2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone (PubChem CID 6446869) has the molecular formula C26H46N4O and a molecular weight of 430.68 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(4-methylpiperazin-1-yl)-2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone
• PubChem CID: 6446869
• Molecular Formula: C26H46N4O
• Molecular Weight: 430.68 g/mol
• Exact Mass: 430.37
• IUPAC Name: 1-(4-methylpiperazin-1-yl)-2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone
• SMILES: CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCN(CC(=O)N2CCN(C)CC2)CC1
• InChI: InChI=1S/C26H46N4O/c1-23(2)8-6-9-24(3)10-7-11-25(4)12-13-28-16-18-29(19-17-28)22-26(31)30-20-14-27(5)15-21-30/h8,10,12H,6-7,9,11,13-22H2,1-5H3/b24-10+,25-12+
• InChIKey: BUTXJOWQBTXZRX-AIXGURBPSA-N
• XLogP: 3.80
• TPSA: 30.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.68
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone?

The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone (CID 6446869) is 1-(4-methylpiperazin-1-yl)-2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone is CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCN(CC(=O)N2CCN(C)CC2)CC1.

What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone?

The InChIKey is BUTXJOWQBTXZRX-AIXGURBPSA-N. The full InChI is InChI=1S/C26H46N4O/c1-23(2)8-6-9-24(3)10-7-11-25(4)12-13-28-16-18-29(19-17-28)22-26(31)30-20-14-27(5)15-21-30/h8,10,12H,6-7,9,11,13-22H2,1-5H3/b24-10+,25-12+.

What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone?

1-(4-methylpiperazin-1-yl)-2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone has a molecular weight of 430.68 g/mol, XLogP of 3.80, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylpiperazin-1-yl)-2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 6446869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).