2-(4-ethylpiperazin-1-yl)-4-fluoroaniline

C12H18FN3 — CID 62377784

IUPAC2-(4-ethylpiperazin-1-yl)-4-fluoroaniline
SMILESCCN1CCN(c2cc(F)ccc2N)CC1
InChIInChI=1S/C12H18FN3/c1-2-15-5-7-16(8-6-15)12-9-10(13)3-4-11(12)14/h3-4,9H,2,5-8,14H2,1H3
InChIKeyIOXRRTCKJCLVCK-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.55
Rot. Bonds2

About 2-(4-ethylpiperazin-1-yl)-4-fluoroaniline

2-(4-ethylpiperazin-1-yl)-4-fluoroaniline (PubChem CID 62377784) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4-fluoroaniline.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4-fluoroaniline
PubChem CID62377784
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name2-(4-ethylpiperazin-1-yl)-4-fluoroaniline
SMILESCCN1CCN(c2cc(F)ccc2N)CC1
InChIInChI=1S/C12H18FN3/c1-2-15-5-7-16(8-6-15)12-9-10(13)3-4-11(12)14/h3-4,9H,2,5-8,14H2,1H3
InChIKeyIOXRRTCKJCLVCK-UHFFFAOYSA-N
XLogP1.55
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-ethylpiperazin-1-yl)-4-fluoroaniline 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)-4-fluoroaniline?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-fluoroaniline (CID 62377784) is 2-(4-ethylpiperazin-1-yl)-4-fluoroaniline.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4-fluoroaniline?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4-fluoroaniline is CCN1CCN(c2cc(F)ccc2N)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4-fluoroaniline?
The InChIKey is IOXRRTCKJCLVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-2-15-5-7-16(8-6-15)12-9-10(13)3-4-11(12)14/h3-4,9H,2,5-8,14H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4-fluoroaniline?
2-(4-ethylpiperazin-1-yl)-4-fluoroaniline has a molecular weight of 223.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4-fluoroaniline is sourced from PubChem (CID 62377784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).