7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole

C26H30F4N2O — CID 25159527

IUPAC7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole
SMILESCc1cn(C)c2c(C(C)OCC3(c4ccc(F)cc4)CCN(C)CC3)cc(C(F)(F)F)cc12
InChIInChI=1S/C26H30F4N2O/c1-17-15-32(4)24-22(17)13-20(26(28,29)30)14-23(24)18(2)33-16-25(9-11-31(3)12-10-25)19-5-7-21(27)8-6-19/h5-8,13-15,18H,9-12,16H2,1-4H3
InChIKeyGTHQPSIPSNZRGE-UHFFFAOYSA-N
MW462.53 g/mol
LogP6.39
Rot. Bonds5

About 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole

7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole (PubChem CID 25159527) has the molecular formula C26H30F4N2O and a molecular weight of 462.53 g/mol. Its IUPAC name is 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole
PubChem CID25159527
Molecular FormulaC26H30F4N2O
Molecular Weight462.53 g/mol
Exact Mass462.23
IUPAC Name7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole
SMILESCc1cn(C)c2c(C(C)OCC3(c4ccc(F)cc4)CCN(C)CC3)cc(C(F)(F)F)cc12
InChIInChI=1S/C26H30F4N2O/c1-17-15-32(4)24-22(17)13-20(26(28,29)30)14-23(24)18(2)33-16-25(9-11-31(3)12-10-25)19-5-7-21(27)8-6-19/h5-8,13-15,18H,9-12,16H2,1-4H3
InChIKeyGTHQPSIPSNZRGE-UHFFFAOYSA-N
XLogP6.39
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.53
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole?
The IUPAC name of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole (CID 25159527) is 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole.
What is the SMILES notation for 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole?
The canonical SMILES for 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole is Cc1cn(C)c2c(C(C)OCC3(c4ccc(F)cc4)CCN(C)CC3)cc(C(F)(F)F)cc12.
What is the InChIKey of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole?
The InChIKey is GTHQPSIPSNZRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F4N2O/c1-17-15-32(4)24-22(17)13-20(26(28,29)30)14-23(24)18(2)33-16-25(9-11-31(3)12-10-25)19-5-7-21(27)8-6-19/h5-8,13-15,18H,9-12,16H2,1-4H3.
What are the key properties of 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole?
7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole has a molecular weight of 462.53 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dimethyl-5-(trifluoromethyl)indole is sourced from PubChem (CID 25159527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).