1-(4-imidazol-1-ylphenyl)piperazine

C13H16N4 — CID 23118290

IUPAC1-(4-imidazol-1-ylphenyl)piperazine
SMILESc1cn(-c2ccc(N3CCNCC3)cc2)cn1
InChIInChI=1S/C13H16N4/c1-3-13(17-10-7-15-11-17)4-2-12(1)16-8-5-14-6-9-16/h1-4,7,10-11,14H,5-6,8-9H2
InChIKeySLUFTOXKPFMTNC-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.28
Rot. Bonds2

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

1-(4-imidazol-1-ylphenyl)piperazine (PubChem CID 23118290) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)piperazine
PubChem CID23118290
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-(4-imidazol-1-ylphenyl)piperazine
SMILESc1cn(-c2ccc(N3CCNCC3)cc2)cn1
InChIInChI=1S/C13H16N4/c1-3-13(17-10-7-15-11-17)4-2-12(1)16-8-5-14-6-9-16/h1-4,7,10-11,14H,5-6,8-9H2
InChIKeySLUFTOXKPFMTNC-UHFFFAOYSA-N
XLogP1.28
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
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-imidazol-1-ylphenyl)piperazine?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)piperazine (CID 23118290) is 1-(4-imidazol-1-ylphenyl)piperazine.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)piperazine?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)piperazine is c1cn(-c2ccc(N3CCNCC3)cc2)cn1.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)piperazine?
The InChIKey is SLUFTOXKPFMTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-13(17-10-7-15-11-17)4-2-12(1)16-8-5-14-6-9-16/h1-4,7,10-11,14H,5-6,8-9H2.
What are the key properties of 1-(4-imidazol-1-ylphenyl)piperazine?
1-(4-imidazol-1-ylphenyl)piperazine has a molecular weight of 228.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenyl)piperazine is sourced from PubChem (CID 23118290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).