2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine

C15H24FN3 — CID 115124012

IUPAC2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine
SMILESCN1CCC(CCN(C)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C15H24FN3/c1-18-8-5-12(6-9-18)7-10-19(2)13-3-4-15(17)14(16)11-13/h3-4,11-12H,5-10,17H2,1-2H3
InChIKeyWMASSDUQLZNPME-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.58
Rot. Bonds4

About 2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine

2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine (PubChem CID 115124012) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine
PubChem CID115124012
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine
SMILESCN1CCC(CCN(C)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C15H24FN3/c1-18-8-5-12(6-9-18)7-10-19(2)13-3-4-15(17)14(16)11-13/h3-4,11-12H,5-10,17H2,1-2H3
InChIKeyWMASSDUQLZNPME-UHFFFAOYSA-N
XLogP2.58
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine 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-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine (CID 115124012) is 2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine is CN1CCC(CCN(C)c2ccc(N)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine?
The InChIKey is WMASSDUQLZNPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-18-8-5-12(6-9-18)7-10-19(2)13-3-4-15(17)14(16)11-13/h3-4,11-12H,5-10,17H2,1-2H3.
What are the key properties of 2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine?
2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine has a molecular weight of 265.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 115124012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).