6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole

C14H20FN3 — CID 155468939

IUPAC6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole
SMILESCN1CCC(C2(C)C=c3[nH]ncc3=CC2)C(F)C1
InChIInChI=1S/C14H20FN3/c1-14(11-4-6-18(2)9-12(11)15)5-3-10-8-16-17-13(10)7-14/h3,7-8,11-12,17H,4-6,9H2,1-2H3
InChIKeyUBJPSDGXQIUMOD-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.67
Rot. Bonds1

About 6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole

6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole (PubChem CID 155468939) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole.

Molecular Properties

Compound Name6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole
PubChem CID155468939
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole
SMILESCN1CCC(C2(C)C=c3[nH]ncc3=CC2)C(F)C1
InChIInChI=1S/C14H20FN3/c1-14(11-4-6-18(2)9-12(11)15)5-3-10-8-16-17-13(10)7-14/h3,7-8,11-12,17H,4-6,9H2,1-2H3
InChIKeyUBJPSDGXQIUMOD-UHFFFAOYSA-N
XLogP0.67
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole?
The IUPAC name of 6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole (CID 155468939) is 6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole.
What is the SMILES notation for 6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole?
The canonical SMILES for 6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole is CN1CCC(C2(C)C=c3[nH]ncc3=CC2)C(F)C1.
What is the InChIKey of 6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole?
The InChIKey is UBJPSDGXQIUMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-14(11-4-6-18(2)9-12(11)15)5-3-10-8-16-17-13(10)7-14/h3,7-8,11-12,17H,4-6,9H2,1-2H3.
What are the key properties of 6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole?
6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole has a molecular weight of 249.33 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-1-methylpiperidin-4-yl)-6-methyl-1,5-dihydroindazole is sourced from PubChem (CID 155468939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).