5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole

C18H23F3N2O — CID 141173405

IUPAC5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole
SMILESCC(C)N1CCC(Oc2ccc3c(ccn3CC(F)(F)F)c2)CC1
InChIInChI=1S/C18H23F3N2O/c1-13(2)22-9-6-15(7-10-22)24-16-3-4-17-14(11-16)5-8-23(17)12-18(19,20)21/h3-5,8,11,13,15H,6-7,9-10,12H2,1-2H3
InChIKeySZYLTEMRKGFAHV-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.46
Rot. Bonds4

About 5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole

5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole (PubChem CID 141173405) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is 5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole.

Molecular Properties

Compound Name5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole
PubChem CID141173405
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole
SMILESCC(C)N1CCC(Oc2ccc3c(ccn3CC(F)(F)F)c2)CC1
InChIInChI=1S/C18H23F3N2O/c1-13(2)22-9-6-15(7-10-22)24-16-3-4-17-14(11-16)5-8-23(17)12-18(19,20)21/h3-5,8,11,13,15H,6-7,9-10,12H2,1-2H3
InChIKeySZYLTEMRKGFAHV-UHFFFAOYSA-N
XLogP4.46
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopentyloxy-1-ethylindole
CID 57315298
(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920
2-(2-hydroxyethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one
CID 16678725
N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
CID 69061667
5-(1-propan-2-ylpiperidin-4-yl)oxy-1-benzothiophene-2-carboxylic acid
CID 68728287
(4S)-4-(hydroxymethyl)-2-methyl-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one
CID 16678935
7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10266140
N-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
CID 69073982
[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-1-yl]-pyrrolidin-1-ylmethanone
CID 44578678
[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 69282977
1-[2-(aziridin-1-yl)ethyl]-5-(trifluoromethoxy)indole
CID 154694278
methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate
CID 24959291

Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole?
The IUPAC name of 5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole (CID 141173405) is 5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole.
What is the SMILES notation for 5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole?
The canonical SMILES for 5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole is CC(C)N1CCC(Oc2ccc3c(ccn3CC(F)(F)F)c2)CC1.
What is the InChIKey of 5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole?
The InChIKey is SZYLTEMRKGFAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O/c1-13(2)22-9-6-15(7-10-22)24-16-3-4-17-14(11-16)5-8-23(17)12-18(19,20)21/h3-5,8,11,13,15H,6-7,9-10,12H2,1-2H3.
What are the key properties of 5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole?
5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole has a molecular weight of 340.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole is sourced from PubChem (CID 141173405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).