2-[1-(2-ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole

C20H24FN3 — CID 70491647

IUPAC2-[1-(2-ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole
SMILESCCc1ccccc1N1CCC(N2Cc3ccc(F)cc3N2)CC1
InChIInChI=1S/C20H24FN3/c1-2-15-5-3-4-6-20(15)23-11-9-18(10-12-23)24-14-16-7-8-17(21)13-19(16)22-24/h3-8,13,18,22H,2,9-12,14H2,1H3
InChIKeyXRPZVFPVPYQGHA-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.20
Rot. Bonds3

About 2-[1-(2-ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole

2-[1-(2-ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole (PubChem CID 70491647) has the molecular formula C20H24FN3 and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[1-(2-ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole.

Molecular Properties

Compound Name2-[1-(2-ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole
PubChem CID70491647
Molecular FormulaC20H24FN3
Molecular Weight325.43 g/mol
Exact Mass325.20
IUPAC Name2-[1-(2-ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole
SMILESCCc1ccccc1N1CCC(N2Cc3ccc(F)cc3N2)CC1
InChIInChI=1S/C20H24FN3/c1-2-15-5-3-4-6-20(15)23-11-9-18(10-12-23)24-14-16-7-8-17(21)13-19(16)22-24/h3-8,13,18,22H,2,9-12,14H2,1H3
InChIKeyXRPZVFPVPYQGHA-UHFFFAOYSA-N
XLogP4.20
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole?
The IUPAC name of 2-[1-(2-ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole (CID 70491647) is 2-[1-(2-ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole.
What is the SMILES notation for 2-[1-(2-ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole?
The canonical SMILES for 2-[1-(2-ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole is CCc1ccccc1N1CCC(N2Cc3ccc(F)cc3N2)CC1.
What is the InChIKey of 2-[1-(2-ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole?
The InChIKey is XRPZVFPVPYQGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3/c1-2-15-5-3-4-6-20(15)23-11-9-18(10-12-23)24-14-16-7-8-17(21)13-19(16)22-24/h3-8,13,18,22H,2,9-12,14H2,1H3.
What are the key properties of 2-[1-(2-ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole?
2-[1-(2-ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole has a molecular weight of 325.43 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylphenyl)piperidin-4-yl]-6-fluoro-1,3-dihydroindazole is sourced from PubChem (CID 70491647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).