1-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]piperazine

C21H24FN5O — CID 13062015

IUPAC1-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]piperazine
SMILESFc1ccc(N2CCN(CCCOc3ccc(-n4cncn4)cc3)CC2)cc1
InChIInChI=1S/C21H24FN5O/c22-18-2-4-19(5-3-18)26-13-11-25(12-14-26)10-1-15-28-21-8-6-20(7-9-21)27-17-23-16-24-27/h2-9,16-17H,1,10-15H2
InChIKeyOXTUIJJUQBBQNG-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.00
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]piperazine

1-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]piperazine (PubChem CID 13062015) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]piperazine
PubChem CID13062015
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name1-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]piperazine
SMILESFc1ccc(N2CCN(CCCOc3ccc(-n4cncn4)cc3)CC2)cc1
InChIInChI=1S/C21H24FN5O/c22-18-2-4-19(5-3-18)26-13-11-25(12-14-26)10-1-15-28-21-8-6-20(7-9-21)27-17-23-16-24-27/h2-9,16-17H,1,10-15H2
InChIKeyOXTUIJJUQBBQNG-UHFFFAOYSA-N
XLogP3.00
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]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-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]piperazine (CID 13062015) is 1-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]piperazine is Fc1ccc(N2CCN(CCCOc3ccc(-n4cncn4)cc3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]piperazine?
The InChIKey is OXTUIJJUQBBQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c22-18-2-4-19(5-3-18)26-13-11-25(12-14-26)10-1-15-28-21-8-6-20(7-9-21)27-17-23-16-24-27/h2-9,16-17H,1,10-15H2.
What are the key properties of 1-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]piperazine?
1-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]piperazine has a molecular weight of 381.46 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[3-[4-(1,2,4-triazol-1-yl)phenoxy]propyl]piperazine is sourced from PubChem (CID 13062015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).