1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole

C16H19F3N2O — CID 154694215

IUPAC1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole
SMILESFC(F)(F)Oc1ccc2c(ccn2CCN2CCCCC2)c1
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)22-14-4-5-15-13(12-14)6-9-21(15)11-10-20-7-2-1-3-8-20/h4-6,9,12H,1-3,7-8,10-11H2
InChIKeyQSKHRMRCHNNOAF-UHFFFAOYSA-N
MW312.33 g/mol
LogP4.03
Rot. Bonds4

About 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole

1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole (PubChem CID 154694215) has the molecular formula C16H19F3N2O and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole
PubChem CID154694215
Molecular FormulaC16H19F3N2O
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC Name1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole
SMILESFC(F)(F)Oc1ccc2c(ccn2CCN2CCCCC2)c1
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)22-14-4-5-15-13(12-14)6-9-21(15)11-10-20-7-2-1-3-8-20/h4-6,9,12H,1-3,7-8,10-11H2
InChIKeyQSKHRMRCHNNOAF-UHFFFAOYSA-N
XLogP4.03
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aziridin-1-yl)ethyl]-5-(trifluoromethoxy)indole
CID 154694278
1-(2-piperidin-1-ylethyl)-5-propan-2-yloxyindole
CID 116625738
1-(2-piperidin-1-ylethyl)-5-propoxyindole
CID 116625548
5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520
5-nitro-1-(2-pyrrolidin-1-ylethyl)indole
CID 11402695
N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide
CID 107920810
1-[2-(aziridin-1-yl)ethyl]-5-chloroindole
CID 154694205
1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole
CID 141113079
1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole
CID 175357552
3-(2-pyrrolidin-1-ylethyl)-6-(trifluoromethoxy)-2H-1,3-benzothiazol-2-amine
CID 151795530
N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine
CID 102915720
1-[3-[2-bromo-5-(trifluoromethoxy)phenoxy]propyl]pyrrolidine
CID 171115484

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole (CID 154694215) is 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole is FC(F)(F)Oc1ccc2c(ccn2CCN2CCCCC2)c1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole?
The InChIKey is QSKHRMRCHNNOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c17-16(18,19)22-14-4-5-15-13(12-14)6-9-21(15)11-10-20-7-2-1-3-8-20/h4-6,9,12H,1-3,7-8,10-11H2.
What are the key properties of 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole?
1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole has a molecular weight of 312.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole is sourced from PubChem (CID 154694215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).