1-(4-piperazin-1-ylphenyl)piperazine

C14H22N4 — CID 10562391

IUPAC1-(4-piperazin-1-ylphenyl)piperazine
SMILESc1cc(N2CCNCC2)ccc1N1CCNCC1
InChIInChI=1S/C14H22N4/c1-2-14(18-11-7-16-8-12-18)4-3-13(1)17-9-5-15-6-10-17/h1-4,15-16H,5-12H2
InChIKeyDEFCFMXORSSQOZ-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.51
Rot. Bonds2

About 1-(4-piperazin-1-ylphenyl)piperazine

1-(4-piperazin-1-ylphenyl)piperazine (PubChem CID 10562391) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-(4-piperazin-1-ylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-piperazin-1-ylphenyl)piperazine
PubChem CID10562391
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-(4-piperazin-1-ylphenyl)piperazine
SMILESc1cc(N2CCNCC2)ccc1N1CCNCC1
InChIInChI=1S/C14H22N4/c1-2-14(18-11-7-16-8-12-18)4-3-13(1)17-9-5-15-6-10-17/h1-4,15-16H,5-12H2
InChIKeyDEFCFMXORSSQOZ-UHFFFAOYSA-N
XLogP0.51
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperazin-1-ylphenyl)piperazine?
The IUPAC name of 1-(4-piperazin-1-ylphenyl)piperazine (CID 10562391) is 1-(4-piperazin-1-ylphenyl)piperazine.
What is the SMILES notation for 1-(4-piperazin-1-ylphenyl)piperazine?
The canonical SMILES for 1-(4-piperazin-1-ylphenyl)piperazine is c1cc(N2CCNCC2)ccc1N1CCNCC1.
What is the InChIKey of 1-(4-piperazin-1-ylphenyl)piperazine?
The InChIKey is DEFCFMXORSSQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-14(18-11-7-16-8-12-18)4-3-13(1)17-9-5-15-6-10-17/h1-4,15-16H,5-12H2.
What are the key properties of 1-(4-piperazin-1-ylphenyl)piperazine?
1-(4-piperazin-1-ylphenyl)piperazine has a molecular weight of 246.36 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperazin-1-ylphenyl)piperazine is sourced from PubChem (CID 10562391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).