7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indole

C24H26F4N2O — CID 25160844

IUPAC7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indole
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc3ccn(C)c23)(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H26F4N2O/c1-29-11-8-23(9-12-29,19-3-5-21(25)6-4-19)16-31-15-18-14-20(24(26,27)28)13-17-7-10-30(2)22(17)18/h3-7,10,13-14H,8-9,11-12,15-16H2,1-2H3
InChIKeyNTZYWHBMOPXKRS-UHFFFAOYSA-N
MW434.48 g/mol
LogP5.52
Rot. Bonds5

About 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indole

7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indole (PubChem CID 25160844) has the molecular formula C24H26F4N2O and a molecular weight of 434.48 g/mol. Its IUPAC name is 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indole
PubChem CID25160844
Molecular FormulaC24H26F4N2O
Molecular Weight434.48 g/mol
Exact Mass434.20
IUPAC Name7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indole
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc3ccn(C)c23)(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H26F4N2O/c1-29-11-8-23(9-12-29,19-3-5-21(25)6-4-19)16-31-15-18-14-20(24(26,27)28)13-17-7-10-30(2)22(17)18/h3-7,10,13-14H,8-9,11-12,15-16H2,1-2H3
InChIKeyNTZYWHBMOPXKRS-UHFFFAOYSA-N
XLogP5.52
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.48
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indole?
The IUPAC name of 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indole (CID 25160844) is 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indole.
What is the SMILES notation for 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indole?
The canonical SMILES for 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indole is CN1CCC(COCc2cc(C(F)(F)F)cc3ccn(C)c23)(c2ccc(F)cc2)CC1.
What is the InChIKey of 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indole?
The InChIKey is NTZYWHBMOPXKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N2O/c1-29-11-8-23(9-12-29,19-3-5-21(25)6-4-19)16-31-15-18-14-20(24(26,27)28)13-17-7-10-30(2)22(17)18/h3-7,10,13-14H,8-9,11-12,15-16H2,1-2H3.
What are the key properties of 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indole?
7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indole has a molecular weight of 434.48 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-1-methyl-5-(trifluoromethyl)indole is sourced from PubChem (CID 25160844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).