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

C25H37N5 — CID 11704191

IUPAC1-phenyl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine
SMILESc1ccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)cc1
InChIInChI=1S/C25H37N5/c1(8-14-27-16-20-29(21-17-27)24-10-4-3-5-11-24)2-9-15-28-18-22-30(23-19-28)25-12-6-7-13-26-25/h3-7,10-13H,1-2,8-9,14-23H2
InChIKeyBWMDINMAJBXMLE-UHFFFAOYSA-N
MW407.61 g/mol
LogP3.59
Rot. Bonds9

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

1-phenyl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine (PubChem CID 11704191) has the molecular formula C25H37N5 and a molecular weight of 407.61 g/mol. Its IUPAC name is 1-phenyl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine
PubChem CID11704191
Molecular FormulaC25H37N5
Molecular Weight407.61 g/mol
Exact Mass407.30
IUPAC Name1-phenyl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine
SMILESc1ccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)cc1
InChIInChI=1S/C25H37N5/c1(8-14-27-16-20-29(21-17-27)24-10-4-3-5-11-24)2-9-15-28-18-22-30(23-19-28)25-12-6-7-13-26-25/h3-7,10-13H,1-2,8-9,14-23H2
InChIKeyBWMDINMAJBXMLE-UHFFFAOYSA-N
XLogP3.59
TPSA25.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.61
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-phenyl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine?
The IUPAC name of 1-phenyl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine (CID 11704191) is 1-phenyl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine?
The canonical SMILES for 1-phenyl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine is c1ccc(N2CCN(CCCCCCN3CCN(c4ccccn4)CC3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine?
The InChIKey is BWMDINMAJBXMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5/c1(8-14-27-16-20-29(21-17-27)24-10-4-3-5-11-24)2-9-15-28-18-22-30(23-19-28)25-12-6-7-13-26-25/h3-7,10-13H,1-2,8-9,14-23H2.
What are the key properties of 1-phenyl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine?
1-phenyl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine has a molecular weight of 407.61 g/mol, XLogP of 3.59, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]piperazine is sourced from PubChem (CID 11704191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).