3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole

C20H20F3N3 — CID 70693471

IUPAC3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole
SMILESFC(F)(F)c1ccccc1C1CCN(Cc2[nH]nc3ccccc23)CC1
InChIInChI=1S/C20H20F3N3/c21-20(22,23)17-7-3-1-5-15(17)14-9-11-26(12-10-14)13-19-16-6-2-4-8-18(16)24-25-19/h1-8,14H,9-13H2,(H,24,25)
InChIKeyIWBIBGFNUXQQIZ-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.96
Rot. Bonds3

About 3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole

3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole (PubChem CID 70693471) has the molecular formula C20H20F3N3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole.

Molecular Properties

Compound Name3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole
PubChem CID70693471
Molecular FormulaC20H20F3N3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole
SMILESFC(F)(F)c1ccccc1C1CCN(Cc2[nH]nc3ccccc23)CC1
InChIInChI=1S/C20H20F3N3/c21-20(22,23)17-7-3-1-5-15(17)14-9-11-26(12-10-14)13-19-16-6-2-4-8-18(16)24-25-19/h1-8,14H,9-13H2,(H,24,25)
InChIKeyIWBIBGFNUXQQIZ-UHFFFAOYSA-N
XLogP4.96
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole?
The IUPAC name of 3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole (CID 70693471) is 3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole.
What is the SMILES notation for 3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole?
The canonical SMILES for 3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole is FC(F)(F)c1ccccc1C1CCN(Cc2[nH]nc3ccccc23)CC1.
What is the InChIKey of 3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole?
The InChIKey is IWBIBGFNUXQQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3/c21-20(22,23)17-7-3-1-5-15(17)14-9-11-26(12-10-14)13-19-16-6-2-4-8-18(16)24-25-19/h1-8,14H,9-13H2,(H,24,25).
What are the key properties of 3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole?
3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole has a molecular weight of 359.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole is sourced from PubChem (CID 70693471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).