1-pyridin-2-yl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine

C24H36N6 — CID 11524350

IUPAC1-pyridin-2-yl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine
SMILESc1ccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)nc1
InChIInChI=1S/C24H36N6/c1(7-13-27-15-19-29(20-16-27)23-9-3-5-11-25-23)2-8-14-28-17-21-30(22-18-28)24-10-4-6-12-26-24/h3-6,9-12H,1-2,7-8,13-22H2
InChIKeyOSEVIYJKDQCRJK-UHFFFAOYSA-N
MW408.59 g/mol
LogP2.98
Rot. Bonds9

About 1-pyridin-2-yl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine

1-pyridin-2-yl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine (PubChem CID 11524350) has the molecular formula C24H36N6 and a molecular weight of 408.59 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine
PubChem CID11524350
Molecular FormulaC24H36N6
Molecular Weight408.59 g/mol
Exact Mass408.30
IUPAC Name1-pyridin-2-yl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine
SMILESc1ccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)nc1
InChIInChI=1S/C24H36N6/c1(7-13-27-15-19-29(20-16-27)23-9-3-5-11-25-23)2-8-14-28-17-21-30(22-18-28)24-10-4-6-12-26-24/h3-6,9-12H,1-2,7-8,13-22H2
InChIKeyOSEVIYJKDQCRJK-UHFFFAOYSA-N
XLogP2.98
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine?
The IUPAC name of 1-pyridin-2-yl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine (CID 11524350) is 1-pyridin-2-yl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine is c1ccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)nc1.
What is the InChIKey of 1-pyridin-2-yl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine?
The InChIKey is OSEVIYJKDQCRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6/c1(7-13-27-15-19-29(20-16-27)23-9-3-5-11-25-23)2-8-14-28-17-21-30(22-18-28)24-10-4-6-12-26-24/h3-6,9-12H,1-2,7-8,13-22H2.
What are the key properties of 1-pyridin-2-yl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine?
1-pyridin-2-yl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine has a molecular weight of 408.59 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine is sourced from PubChem (CID 11524350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).