2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline

C15H24FN3O — CID 63593438

IUPAC2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline
SMILESCCCOc1cc(N2CCN(CC)CC2)c(N)cc1F
InChIInChI=1S/C15H24FN3O/c1-3-9-20-15-11-14(13(17)10-12(15)16)19-7-5-18(4-2)6-8-19/h10-11H,3-9,17H2,1-2H3
InChIKeyZKTIAPWDYOZLNF-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.34
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline

2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline (PubChem CID 63593438) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline
PubChem CID63593438
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline
SMILESCCCOc1cc(N2CCN(CC)CC2)c(N)cc1F
InChIInChI=1S/C15H24FN3O/c1-3-9-20-15-11-14(13(17)10-12(15)16)19-7-5-18(4-2)6-8-19/h10-11H,3-9,17H2,1-2H3
InChIKeyZKTIAPWDYOZLNF-UHFFFAOYSA-N
XLogP2.34
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline 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 2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline (CID 63593438) is 2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline is CCCOc1cc(N2CCN(CC)CC2)c(N)cc1F.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline?
The InChIKey is ZKTIAPWDYOZLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-3-9-20-15-11-14(13(17)10-12(15)16)19-7-5-18(4-2)6-8-19/h10-11H,3-9,17H2,1-2H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline?
2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline has a molecular weight of 281.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-5-fluoro-4-propoxyaniline is sourced from PubChem (CID 63593438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).