5-chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline

C11H15ClFN3 — CID 66079118

IUPAC5-chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline
SMILESCN1CCN(c2cc(F)c(Cl)cc2N)CC1
InChIInChI=1S/C11H15ClFN3/c1-15-2-4-16(5-3-15)11-7-9(13)8(12)6-10(11)14/h6-7H,2-5,14H2,1H3
InChIKeyJUTVMNVTESPAHC-UHFFFAOYSA-N
MW243.71 g/mol
LogP1.81
Rot. Bonds1

About 5-chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline

5-chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline (PubChem CID 66079118) has the molecular formula C11H15ClFN3 and a molecular weight of 243.71 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name5-chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline
PubChem CID66079118
Molecular FormulaC11H15ClFN3
Molecular Weight243.71 g/mol
Exact Mass243.09
IUPAC Name5-chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline
SMILESCN1CCN(c2cc(F)c(Cl)cc2N)CC1
InChIInChI=1S/C11H15ClFN3/c1-15-2-4-16(5-3-15)11-7-9(13)8(12)6-10(11)14/h6-7H,2-5,14H2,1H3
InChIKeyJUTVMNVTESPAHC-UHFFFAOYSA-N
XLogP1.81
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-4-fluoro-2-(4-methylpiperazin-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

Related Compounds

1-(3-Chlorophenyl)piperazine
CID 1355
1-(3-Chlorophenyl)piperazine monohydrochloride
CID 25681
1-(4-Chlorophenyl)piperazine
CID 97478
1-(3-Chlorophenyl)piperazine dihydrochloride
CID 11957487
1-(4-Chlorophenyl)-2-methylpiperazine
CID 98289
1-(3,4-Dichlorophenyl)piperazine
CID 93601
1-(3,5-Dichlorophenyl)piperazine
CID 2736067
1-(3-Chlorophenyl)-4-hexylpiperazine
CID 610696
1-(3-Chloro-phenyl)-4-pentyl-piperazine
CID 14960350
1-(4-Chlorophenyl)-4-hexylpiperazine
CID 3738741
5-Chloro-2-(morpholin-4-yl)aniline
CID 846189
Piperazine, 1-(3-chlorophenyl)-4-methyl-
CID 14960351

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline?
The IUPAC name of 5-chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline (CID 66079118) is 5-chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline.
What is the SMILES notation for 5-chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline?
The canonical SMILES for 5-chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline is CN1CCN(c2cc(F)c(Cl)cc2N)CC1.
What is the InChIKey of 5-chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline?
The InChIKey is JUTVMNVTESPAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3/c1-15-2-4-16(5-3-15)11-7-9(13)8(12)6-10(11)14/h6-7H,2-5,14H2,1H3.
What are the key properties of 5-chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline?
5-chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline has a molecular weight of 243.71 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2-(4-methylpiperazin-1-yl)aniline is sourced from PubChem (CID 66079118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).