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

C20H24FN3 — CID 70491648

IUPAC6-fluoro-2-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindazole
SMILESFc1ccc2c(c1)NN(C1CCN(CCc3ccccc3)CC1)C2
InChIInChI=1S/C20H24FN3/c21-18-7-6-17-15-24(22-20(17)14-18)19-9-12-23(13-10-19)11-8-16-4-2-1-3-5-16/h1-7,14,19,22H,8-13,15H2
InChIKeyXKTKSGOVURPYNR-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.68
Rot. Bonds4

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

6-fluoro-2-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindazole (PubChem CID 70491648) has the molecular formula C20H24FN3 and a molecular weight of 325.43 g/mol. Its IUPAC name is 6-fluoro-2-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindazole.

Molecular Properties

Compound Name6-fluoro-2-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindazole
PubChem CID70491648
Molecular FormulaC20H24FN3
Molecular Weight325.43 g/mol
Exact Mass325.20
IUPAC Name6-fluoro-2-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindazole
SMILESFc1ccc2c(c1)NN(C1CCN(CCc3ccccc3)CC1)C2
InChIInChI=1S/C20H24FN3/c21-18-7-6-17-15-24(22-20(17)14-18)19-9-12-23(13-10-19)11-8-16-4-2-1-3-5-16/h1-7,14,19,22H,8-13,15H2
InChIKeyXKTKSGOVURPYNR-UHFFFAOYSA-N
XLogP3.68
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindazole?
The IUPAC name of 6-fluoro-2-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindazole (CID 70491648) is 6-fluoro-2-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindazole.
What is the SMILES notation for 6-fluoro-2-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindazole?
The canonical SMILES for 6-fluoro-2-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindazole is Fc1ccc2c(c1)NN(C1CCN(CCc3ccccc3)CC1)C2.
What is the InChIKey of 6-fluoro-2-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindazole?
The InChIKey is XKTKSGOVURPYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3/c21-18-7-6-17-15-24(22-20(17)14-18)19-9-12-23(13-10-19)11-8-16-4-2-1-3-5-16/h1-7,14,19,22H,8-13,15H2.
What are the key properties of 6-fluoro-2-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindazole?
6-fluoro-2-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindazole has a molecular weight of 325.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-(2-phenylethyl)piperidin-4-yl]-1,3-dihydroindazole is sourced from PubChem (CID 70491648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).