1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine

C26H38N4 — CID 11567667

IUPAC1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine
SMILESc1ccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C26H38N4/c1(9-15-27-17-21-29(22-18-27)25-11-5-3-6-12-25)2-10-16-28-19-23-30(24-20-28)26-13-7-4-8-14-26/h3-8,11-14H,1-2,9-10,15-24H2
InChIKeyORESESSHUCUUFK-UHFFFAOYSA-N
MW406.62 g/mol
LogP4.19
Rot. Bonds9

About 1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine

1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine (PubChem CID 11567667) has the molecular formula C26H38N4 and a molecular weight of 406.62 g/mol. Its IUPAC name is 1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine
PubChem CID11567667
Molecular FormulaC26H38N4
Molecular Weight406.62 g/mol
Exact Mass406.31
IUPAC Name1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine
SMILESc1ccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C26H38N4/c1(9-15-27-17-21-29(22-18-27)25-11-5-3-6-12-25)2-10-16-28-19-23-30(24-20-28)26-13-7-4-8-14-26/h3-8,11-14H,1-2,9-10,15-24H2
InChIKeyORESESSHUCUUFK-UHFFFAOYSA-N
XLogP4.19
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.62
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine?
The IUPAC name of 1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine (CID 11567667) is 1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine?
The canonical SMILES for 1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine is c1ccc(N2CCN(CCCCCCN3CCN(c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine?
The InChIKey is ORESESSHUCUUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4/c1(9-15-27-17-21-29(22-18-27)25-11-5-3-6-12-25)2-10-16-28-19-23-30(24-20-28)26-13-7-4-8-14-26/h3-8,11-14H,1-2,9-10,15-24H2.
What are the key properties of 1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine?
1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine has a molecular weight of 406.62 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[6-(4-phenylpiperazin-1-yl)hexyl]piperazine is sourced from PubChem (CID 11567667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).