2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol

C21H27F3N2O2 — CID 126952712

IUPAC2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CCC(Oc2cccc3c2ccn3CC(F)(F)F)CC1
InChIInChI=1S/C21H27F3N2O2/c22-21(23,24)14-26-13-10-16-17(26)5-3-7-20(16)28-15-8-11-25(12-9-15)18-4-1-2-6-19(18)27/h3,5,7,10,13,15,18-19,27H,1-2,4,6,8-9,11-12,14H2
InChIKeyNZZPUPBZUVJOBT-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.35
Rot. Bonds4

About 2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol

2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol (PubChem CID 126952712) has the molecular formula C21H27F3N2O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol
PubChem CID126952712
Molecular FormulaC21H27F3N2O2
Molecular Weight396.45 g/mol
Exact Mass396.20
IUPAC Name2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol
SMILESOC1CCCCC1N1CCC(Oc2cccc3c2ccn3CC(F)(F)F)CC1
InChIInChI=1S/C21H27F3N2O2/c22-21(23,24)14-26-13-10-16-17(26)5-3-7-20(16)28-15-8-11-25(12-9-15)18-4-1-2-6-19(18)27/h3,5,7,10,13,15,18-19,27H,1-2,4,6,8-9,11-12,14H2
InChIKeyNZZPUPBZUVJOBT-UHFFFAOYSA-N
XLogP4.35
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol (CID 126952712) is 2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol is OC1CCCCC1N1CCC(Oc2cccc3c2ccn3CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol?
The InChIKey is NZZPUPBZUVJOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O2/c22-21(23,24)14-26-13-10-16-17(26)5-3-7-20(16)28-15-8-11-25(12-9-15)18-4-1-2-6-19(18)27/h3,5,7,10,13,15,18-19,27H,1-2,4,6,8-9,11-12,14H2.
What are the key properties of 2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol?
2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol has a molecular weight of 396.45 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 126952712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).