3-[4-(4-fluorophenyl)piperazin-1-yl]aniline

C16H18FN3 — CID 28799981

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]aniline
SMILESNc1cccc(N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C16H18FN3/c17-13-4-6-15(7-5-13)19-8-10-20(11-9-19)16-3-1-2-14(18)12-16/h1-7,12H,8-11,18H2
InChIKeyGTOLPMZAUOXTQC-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.73
Rot. Bonds2

About 3-[4-(4-fluorophenyl)piperazin-1-yl]aniline

3-[4-(4-fluorophenyl)piperazin-1-yl]aniline (PubChem CID 28799981) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]aniline
PubChem CID28799981
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]aniline
SMILESNc1cccc(N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C16H18FN3/c17-13-4-6-15(7-5-13)19-8-10-20(11-9-19)16-3-1-2-14(18)12-16/h1-7,12H,8-11,18H2
InChIKeyGTOLPMZAUOXTQC-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 60875546
3-[4-(2-fluoroethyl)piperazin-1-yl]aniline
CID 80694905
4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxyaniline
CID 91684405
3-(1,4-diazepan-1-yl)aniline
CID 22478590
2-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylaniline
CID 115549903
1-(4-fluorophenyl)-4-sulfanylpiperazine
CID 123797629
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 56724718
4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
CID 28603665
3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline
CID 61344824
3-(4-ethyl-1,4-diazepan-1-yl)aniline
CID 22330011
3-[4-(5-iodopyrimidin-2-yl)piperazin-1-yl]aniline
CID 116648720
3-(3,3-difluoro-4-methylpiperazin-1-yl)aniline
CID 153373622

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]aniline?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]aniline (CID 28799981) is 3-[4-(4-fluorophenyl)piperazin-1-yl]aniline.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]aniline?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]aniline is Nc1cccc(N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]aniline?
The InChIKey is GTOLPMZAUOXTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c17-13-4-6-15(7-5-13)19-8-10-20(11-9-19)16-3-1-2-14(18)12-16/h1-7,12H,8-11,18H2.
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]aniline?
3-[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 3-[4-(4-fluorophenyl)piperazin-1-yl]aniline is sourced from PubChem (CID 28799981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).