4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole

C20H25F3N2O2 — CID 126952690

IUPAC4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
SMILESFC(F)(F)Cn1ccc2c(OC3CCN(CC4CCCO4)CC3)cccc21
InChIInChI=1S/C20H25F3N2O2/c21-20(22,23)14-25-11-8-17-18(25)4-1-5-19(17)27-15-6-9-24(10-7-15)13-16-3-2-12-26-16/h1,4-5,8,11,15-16H,2-3,6-7,9-10,12-14H2
InChIKeyOHQGBKNCBJVYAV-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.23
Rot. Bonds5

About 4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole

4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole (PubChem CID 126952690) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole.

Molecular Properties

Compound Name4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
PubChem CID126952690
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
SMILESFC(F)(F)Cn1ccc2c(OC3CCN(CC4CCCO4)CC3)cccc21
InChIInChI=1S/C20H25F3N2O2/c21-20(22,23)14-25-11-8-17-18(25)4-1-5-19(17)27-15-6-9-24(10-7-15)13-16-3-2-12-26-16/h1,4-5,8,11,15-16H,2-3,6-7,9-10,12-14H2
InChIKeyOHQGBKNCBJVYAV-UHFFFAOYSA-N
XLogP4.23
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]thiolane 1,1-dioxide
CID 126952684
2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol
CID 126952712
1-[2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]ethyl]azepan-2-one
CID 126952666
2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 126952627
2-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole
CID 126952626
1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one
CID 126952577
1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole
CID 126952123
(5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone
CID 126952507
6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126952834
5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126952873
4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole
CID 126952428
2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953459

Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole?
The IUPAC name of 4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole (CID 126952690) is 4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole.
What is the SMILES notation for 4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole?
The canonical SMILES for 4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole is FC(F)(F)Cn1ccc2c(OC3CCN(CC4CCCO4)CC3)cccc21.
What is the InChIKey of 4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole?
The InChIKey is OHQGBKNCBJVYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O2/c21-20(22,23)14-25-11-8-17-18(25)4-1-5-19(17)27-15-6-9-24(10-7-15)13-16-3-2-12-26-16/h1,4-5,8,11,15-16H,2-3,6-7,9-10,12-14H2.
What are the key properties of 4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole?
4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole has a molecular weight of 382.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxolan-2-ylmethyl)piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole is sourced from PubChem (CID 126952690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).