2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline

C17H20FN3 — CID 60783031

IUPAC2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline
SMILESCN1CCN(c2cccc(F)c2N)C(c2ccccc2)C1
InChIInChI=1S/C17H20FN3/c1-20-10-11-21(15-9-5-8-14(18)17(15)19)16(12-20)13-6-3-2-4-7-13/h2-9,16H,10-12,19H2,1H3
InChIKeyHZLQOSSZMDWZIT-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.90
Rot. Bonds2

About 2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline

2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline (PubChem CID 60783031) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline
PubChem CID60783031
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline
SMILESCN1CCN(c2cccc(F)c2N)C(c2ccccc2)C1
InChIInChI=1S/C17H20FN3/c1-20-10-11-21(15-9-5-8-14(18)17(15)19)16(12-20)13-6-3-2-4-7-13/h2-9,16H,10-12,19H2,1H3
InChIKeyHZLQOSSZMDWZIT-UHFFFAOYSA-N
XLogP2.90
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-(4-methyl-2-phenylpiperazin-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 2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline?
The IUPAC name of 2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline (CID 60783031) is 2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline.
What is the SMILES notation for 2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline?
The canonical SMILES for 2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline is CN1CCN(c2cccc(F)c2N)C(c2ccccc2)C1.
What is the InChIKey of 2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline?
The InChIKey is HZLQOSSZMDWZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-20-10-11-21(15-9-5-8-14(18)17(15)19)16(12-20)13-6-3-2-4-7-13/h2-9,16H,10-12,19H2,1H3.
What are the key properties of 2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline?
2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline has a molecular weight of 285.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-methyl-2-phenylpiperazin-1-yl)aniline is sourced from PubChem (CID 60783031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).