1-(2-piperazin-1-ylethyl)-4-[5-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]pentyl]piperazine

C31H64N10 — CID 147471883

About 1-(2-piperazin-1-ylethyl)-4-[5-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]pentyl]piperazine

1-(2-piperazin-1-ylethyl)-4-[5-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]pentyl]piperazine (PubChem CID 147471883) has the molecular formula C31H64N10 and a molecular weight of 576.92 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylethyl)-4-[5-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]pentyl]piperazine.

Molecular Properties

• Compound Name: 1-(2-piperazin-1-ylethyl)-4-[5-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]pentyl]piperazine
• PubChem CID: 147471883
• Molecular Formula: C31H64N10
• Molecular Weight: 576.92 g/mol
• Exact Mass: 576.53
• IUPAC Name: 1-(2-piperazin-1-ylethyl)-4-[5-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]pentyl]piperazine
• SMILES: C(CCN1CCN(CCN2CCNCC2)CC1)CCN1CCN(CCN2CCN(CCN3CCNCC3)CC2)CC1
• InChI: InChI=1S/C31H64N10/c1(2-8-34-14-20-38(21-15-34)24-18-36-10-4-32-5-11-36)3-9-35-16-22-39(23-17-35)26-29-41-30-27-40(28-31-41)25-19-37-12-6-33-7-13-37/h32-33H,1-31H2
• InChIKey: FBYBSXJUOJZTKN-UHFFFAOYSA-N
• XLogP: -1.18
• TPSA: 49.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.92
LogP ≤ 5	-1.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylethyl)-4-[5-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]pentyl]piperazine?

The IUPAC name of 1-(2-piperazin-1-ylethyl)-4-[5-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]pentyl]piperazine (CID 147471883) is 1-(2-piperazin-1-ylethyl)-4-[5-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]pentyl]piperazine.

What is the SMILES notation for 1-(2-piperazin-1-ylethyl)-4-[5-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]pentyl]piperazine?

The canonical SMILES for 1-(2-piperazin-1-ylethyl)-4-[5-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]pentyl]piperazine is C(CCN1CCN(CCN2CCNCC2)CC1)CCN1CCN(CCN2CCN(CCN3CCNCC3)CC2)CC1.

What is the InChIKey of 1-(2-piperazin-1-ylethyl)-4-[5-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]pentyl]piperazine?

The InChIKey is FBYBSXJUOJZTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64N10/c1(2-8-34-14-20-38(21-15-34)24-18-36-10-4-32-5-11-36)3-9-35-16-22-39(23-17-35)26-29-41-30-27-40(28-31-41)25-19-37-12-6-33-7-13-37/h32-33H,1-31H2.

What are the key properties of 1-(2-piperazin-1-ylethyl)-4-[5-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]pentyl]piperazine?

1-(2-piperazin-1-ylethyl)-4-[5-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]pentyl]piperazine has a molecular weight of 576.92 g/mol, XLogP of -1.18, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-piperazin-1-ylethyl)-4-[5-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]pentyl]piperazine is sourced from PubChem (CID 147471883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).