3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine

C20H25F2N3O — CID 141382258

IUPAC3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine
SMILESCC(C)(F)CN1CCC(COc2ccc(-c3cccc(F)c3)nn2)CC1
InChIInChI=1S/C20H25F2N3O/c1-20(2,22)14-25-10-8-15(9-11-25)13-26-19-7-6-18(23-24-19)16-4-3-5-17(21)12-16/h3-7,12,15H,8-11,13-14H2,1-2H3
InChIKeyCWLMFIMKFXUYGH-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.12
Rot. Bonds6

About 3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine

3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine (PubChem CID 141382258) has the molecular formula C20H25F2N3O and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine.

Molecular Properties

Compound Name3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine
PubChem CID141382258
Molecular FormulaC20H25F2N3O
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine
SMILESCC(C)(F)CN1CCC(COc2ccc(-c3cccc(F)c3)nn2)CC1
InChIInChI=1S/C20H25F2N3O/c1-20(2,22)14-25-10-8-15(9-11-25)13-26-19-7-6-18(23-24-19)16-4-3-5-17(21)12-16/h3-7,12,15H,8-11,13-14H2,1-2H3
InChIKeyCWLMFIMKFXUYGH-UHFFFAOYSA-N
XLogP4.12
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine 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 3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine?
The IUPAC name of 3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine (CID 141382258) is 3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine.
What is the SMILES notation for 3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine?
The canonical SMILES for 3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine is CC(C)(F)CN1CCC(COc2ccc(-c3cccc(F)c3)nn2)CC1.
What is the InChIKey of 3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine?
The InChIKey is CWLMFIMKFXUYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O/c1-20(2,22)14-25-10-8-15(9-11-25)13-26-19-7-6-18(23-24-19)16-4-3-5-17(21)12-16/h3-7,12,15H,8-11,13-14H2,1-2H3.
What are the key properties of 3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine?
3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine has a molecular weight of 361.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-6-(3-fluorophenyl)pyridazine is sourced from PubChem (CID 141382258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).