1-methyl-4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)indole

C24H27F3N2O — CID 25160719

IUPAC1-methyl-4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)indole
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc3c2ccn3C)(c2ccccc2)CC1
InChIInChI=1S/C24H27F3N2O/c1-28-12-9-23(10-13-28,19-6-4-3-5-7-19)17-30-16-18-14-20(24(25,26)27)15-22-21(18)8-11-29(22)2/h3-8,11,14-15H,9-10,12-13,16-17H2,1-2H3
InChIKeyPTKSXXCOKVTMGV-UHFFFAOYSA-N
MW416.49 g/mol
LogP5.38
Rot. Bonds5

About 1-methyl-4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)indole

1-methyl-4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)indole (PubChem CID 25160719) has the molecular formula C24H27F3N2O and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-methyl-4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-methyl-4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)indole
PubChem CID25160719
Molecular FormulaC24H27F3N2O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name1-methyl-4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)indole
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc3c2ccn3C)(c2ccccc2)CC1
InChIInChI=1S/C24H27F3N2O/c1-28-12-9-23(10-13-28,19-6-4-3-5-7-19)17-30-16-18-14-20(24(25,26)27)15-22-21(18)8-11-29(22)2/h3-8,11,14-15H,9-10,12-13,16-17H2,1-2H3
InChIKeyPTKSXXCOKVTMGV-UHFFFAOYSA-N
XLogP5.38
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)indole?
The IUPAC name of 1-methyl-4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)indole (CID 25160719) is 1-methyl-4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)indole.
What is the SMILES notation for 1-methyl-4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)indole?
The canonical SMILES for 1-methyl-4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)indole is CN1CCC(COCc2cc(C(F)(F)F)cc3c2ccn3C)(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)indole?
The InChIKey is PTKSXXCOKVTMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O/c1-28-12-9-23(10-13-28,19-6-4-3-5-7-19)17-30-16-18-14-20(24(25,26)27)15-22-21(18)8-11-29(22)2/h3-8,11,14-15H,9-10,12-13,16-17H2,1-2H3.
What are the key properties of 1-methyl-4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)indole?
1-methyl-4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)indole has a molecular weight of 416.49 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)indole is sourced from PubChem (CID 25160719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).