7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole

C22H24F3N3O — CID 25159655

IUPAC7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc3cn[nH]c23)(c2ccccc2)CC1
InChIInChI=1S/C22H24F3N3O/c1-28-9-7-21(8-10-28,18-5-3-2-4-6-18)15-29-14-17-12-19(22(23,24)25)11-16-13-26-27-20(16)17/h2-6,11-13H,7-10,14-15H2,1H3,(H,26,27)
InChIKeyZJVUOIIYSZCOTL-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.76
Rot. Bonds5

About 7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole

7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole (PubChem CID 25159655) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is 7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole
PubChem CID25159655
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc3cn[nH]c23)(c2ccccc2)CC1
InChIInChI=1S/C22H24F3N3O/c1-28-9-7-21(8-10-28,18-5-3-2-4-6-18)15-29-14-17-12-19(22(23,24)25)11-16-13-26-27-20(16)17/h2-6,11-13H,7-10,14-15H2,1H3,(H,26,27)
InChIKeyZJVUOIIYSZCOTL-UHFFFAOYSA-N
XLogP4.76
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole?
The IUPAC name of 7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole (CID 25159655) is 7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole is CN1CCC(COCc2cc(C(F)(F)F)cc3cn[nH]c23)(c2ccccc2)CC1.
What is the InChIKey of 7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole?
The InChIKey is ZJVUOIIYSZCOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O/c1-28-9-7-21(8-10-28,18-5-3-2-4-6-18)15-29-14-17-12-19(22(23,24)25)11-16-13-26-27-20(16)17/h2-6,11-13H,7-10,14-15H2,1H3,(H,26,27).
What are the key properties of 7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole?
7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole has a molecular weight of 403.45 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 25159655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).