2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline

C16H25FN2O — CID 63592284

IUPAC2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline
SMILESCCCOc1cc(N2CCC(C)CC2C)c(N)cc1F
InChIInChI=1S/C16H25FN2O/c1-4-7-20-16-10-15(14(18)9-13(16)17)19-6-5-11(2)8-12(19)3/h9-12H,4-8,18H2,1-3H3
InChIKeyVVQOEBWEINPNGE-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.82
Rot. Bonds4

About 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline

2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline (PubChem CID 63592284) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline
PubChem CID63592284
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline
SMILESCCCOc1cc(N2CCC(C)CC2C)c(N)cc1F
InChIInChI=1S/C16H25FN2O/c1-4-7-20-16-10-15(14(18)9-13(16)17)19-6-5-11(2)8-12(19)3/h9-12H,4-8,18H2,1-3H3
InChIKeyVVQOEBWEINPNGE-UHFFFAOYSA-N
XLogP3.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethylpiperidin-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-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline (CID 63592284) is 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline is CCCOc1cc(N2CCC(C)CC2C)c(N)cc1F.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline?
The InChIKey is VVQOEBWEINPNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-7-20-16-10-15(14(18)9-13(16)17)19-6-5-11(2)8-12(19)3/h9-12H,4-8,18H2,1-3H3.
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline?
2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline has a molecular weight of 280.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-5-fluoro-4-propoxyaniline is sourced from PubChem (CID 63592284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).