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

Name: 2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₇F₃N₂O₂ — CID 126952712

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol
PubChem CID	126952712
Molecular Formula	C₂₁H₂₇F₃N₂O₂
Molecular Weight	396.45 g/mol
Exact Mass	396.20
IUPAC Name	2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]cyclohexan-1-ol
SMILES	OC1CCCCC1N1CCC(Oc2cccc3c2ccn3CC(F)(F)F)CC1
InChI	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
InChIKey	NZZPUPBZUVJOBT-UHFFFAOYSA-N
XLogP	4.35
TPSA	37.63 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 126952712 — identifiers, structure, computed properties (public domain)

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