4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol

C19H23F3N2O3 — CID 126952711

IUPAC4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol
SMILESOC1COCC1N1CCC(Oc2cccc3c2ccn3CC(F)(F)F)CC1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)12-24-9-6-14-15(24)2-1-3-18(14)27-13-4-7-23(8-5-13)16-10-26-11-17(16)25/h1-3,6,9,13,16-17,25H,4-5,7-8,10-12H2
InChIKeyMXKVTEPEXJDYMI-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.81
Rot. Bonds4

About 4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol

4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol (PubChem CID 126952711) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol.

Molecular Properties

Compound Name4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol
PubChem CID126952711
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Name4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol
SMILESOC1COCC1N1CCC(Oc2cccc3c2ccn3CC(F)(F)F)CC1
InChIInChI=1S/C19H23F3N2O3/c20-19(21,22)12-24-9-6-14-15(24)2-1-3-18(14)27-13-4-7-23(8-5-13)16-10-26-11-17(16)25/h1-3,6,9,13,16-17,25H,4-5,7-8,10-12H2
InChIKeyMXKVTEPEXJDYMI-UHFFFAOYSA-N
XLogP2.81
TPSA46.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol?
The IUPAC name of 4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol (CID 126952711) is 4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol.
What is the SMILES notation for 4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol?
The canonical SMILES for 4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol is OC1COCC1N1CCC(Oc2cccc3c2ccn3CC(F)(F)F)CC1.
What is the InChIKey of 4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol?
The InChIKey is MXKVTEPEXJDYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c20-19(21,22)12-24-9-6-14-15(24)2-1-3-18(14)27-13-4-7-23(8-5-13)16-10-26-11-17(16)25/h1-3,6,9,13,16-17,25H,4-5,7-8,10-12H2.
What are the key properties of 4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol?
4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol has a molecular weight of 384.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]oxolan-3-ol is sourced from PubChem (CID 126952711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).