1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole

C17H21F3N2O — CID 162633591

IUPAC1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole
SMILESCCn1ccc2cc(CN3CCC(OC(F)(F)F)CC3)ccc21
InChIInChI=1S/C17H21F3N2O/c1-2-22-10-5-14-11-13(3-4-16(14)22)12-21-8-6-15(7-9-21)23-17(18,19)20/h3-5,10-11,15H,2,6-9,12H2,1H3
InChIKeyUMOYXHSPNXINMB-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.16
Rot. Bonds4

About 1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole

1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole (PubChem CID 162633591) has the molecular formula C17H21F3N2O and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole.

Molecular Properties

Compound Name1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole
PubChem CID162633591
Molecular FormulaC17H21F3N2O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole
SMILESCCn1ccc2cc(CN3CCC(OC(F)(F)F)CC3)ccc21
InChIInChI=1S/C17H21F3N2O/c1-2-22-10-5-14-11-13(3-4-16(14)22)12-21-8-6-15(7-9-21)23-17(18,19)20/h3-5,10-11,15H,2,6-9,12H2,1H3
InChIKeyUMOYXHSPNXINMB-UHFFFAOYSA-N
XLogP4.16
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole
CID 99938175
7-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 163311933
(3S,4S)-3-benzyl-1-[(1-ethylindol-5-yl)methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 135098096
5-cyclopentyloxy-1-ethylindole
CID 57315298
1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170863995
(3aS,6aS)-5-[(1-ethylindol-5-yl)methyl]-2-(2-hydroxyethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72917804
N,N-dimethyl-3-[5-[[4-(2-phenylethyl)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 129206446
2-(1-ethylindol-5-yl)acetaldehyde
CID 115106765
7-(cyclopropylmethyl)-2-[(1-ethylindol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72894242
3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 71819831
5-(1-propan-2-ylpiperidin-4-yl)oxy-1-(2,2,2-trifluoroethyl)indole
CID 141173405
(1R,5S)-6-[(1-ethylindol-5-yl)methyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 164641183

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole?
The IUPAC name of 1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole (CID 162633591) is 1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole.
What is the SMILES notation for 1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole?
The canonical SMILES for 1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole is CCn1ccc2cc(CN3CCC(OC(F)(F)F)CC3)ccc21.
What is the InChIKey of 1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole?
The InChIKey is UMOYXHSPNXINMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O/c1-2-22-10-5-14-11-13(3-4-16(14)22)12-21-8-6-15(7-9-21)23-17(18,19)20/h3-5,10-11,15H,2,6-9,12H2,1H3.
What are the key properties of 1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole?
1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole has a molecular weight of 326.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]indole is sourced from PubChem (CID 162633591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).