4-[4-(4-fluorophenyl)piperazin-1-yl]aniline

C16H18FN3 — CID 1480302

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]aniline
SMILESNc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C16H18FN3/c17-13-1-5-15(6-2-13)19-9-11-20(12-10-19)16-7-3-14(18)4-8-16/h1-8H,9-12,18H2
InChIKeyFQOITVYFRAXELU-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.73
Rot. Bonds2

About 4-[4-(4-fluorophenyl)piperazin-1-yl]aniline

4-[4-(4-fluorophenyl)piperazin-1-yl]aniline (PubChem CID 1480302) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]aniline
PubChem CID1480302
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]aniline
SMILESNc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C16H18FN3/c17-13-1-5-15(6-2-13)19-9-11-20(12-10-19)16-7-3-14(18)4-8-16/h1-8H,9-12,18H2
InChIKeyFQOITVYFRAXELU-UHFFFAOYSA-N
XLogP2.73
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[4-(4-fluorophenyl)piperazin-1-yl]aniline 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 4-[4-(4-fluorophenyl)piperazin-1-yl]aniline?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]aniline (CID 1480302) is 4-[4-(4-fluorophenyl)piperazin-1-yl]aniline.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]aniline?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]aniline is Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]aniline?
The InChIKey is FQOITVYFRAXELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c17-13-1-5-15(6-2-13)19-9-11-20(12-10-19)16-7-3-14(18)4-8-16/h1-8H,9-12,18H2.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]aniline?
4-[4-(4-fluorophenyl)piperazin-1-yl]aniline has a molecular weight of 271.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]aniline is sourced from PubChem (CID 1480302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).