1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine

C46H53F9N6O4 — CID 159858610

IUPAC1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine
SMILESFC(F)(F)Oc1ccc2c(ccn2CCN2CCCC2)c1.FC(F)(F)Oc1ccc2c(ccn2CCN2CCCCC2)c1.FC(F)(F)Oc1ccc2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C16H19F3N2O.C15H17F3N2O2.C15H17F3N2O/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;16-15(17,18)22-13-1-2-14-12(11-13)3-4-20(14)6-5-19-7-9-21-10-8-19;16-15(17,18)21-13-3-4-14-12(11-13)5-8-20(14)10-9-19-6-1-2-7-19/h4-6,9,12H,1-3,7-8,10-11H2;1-4,11H,5-10H2;3-5,8,11H,1-2,6-7,9-10H2
InChIKeyNQVSJTHXBNEJFC-UHFFFAOYSA-N
MW924.95 g/mol
LogP10.53
Rot. Bonds12

About 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine

1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine (PubChem CID 159858610) has the molecular formula C46H53F9N6O4 and a molecular weight of 924.95 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine
PubChem CID159858610
Molecular FormulaC46H53F9N6O4
Molecular Weight924.95 g/mol
Exact Mass924.40
IUPAC Name1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine
SMILESFC(F)(F)Oc1ccc2c(ccn2CCN2CCCC2)c1.FC(F)(F)Oc1ccc2c(ccn2CCN2CCCCC2)c1.FC(F)(F)Oc1ccc2c(ccn2CCN2CCOCC2)c1
InChIInChI=1S/C16H19F3N2O.C15H17F3N2O2.C15H17F3N2O/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;16-15(17,18)22-13-1-2-14-12(11-13)3-4-20(14)6-5-19-7-9-21-10-8-19;16-15(17,18)21-13-3-4-14-12(11-13)5-8-20(14)10-9-19-6-1-2-7-19/h4-6,9,12H,1-3,7-8,10-11H2;1-4,11H,5-10H2;3-5,8,11H,1-2,6-7,9-10H2
InChIKeyNQVSJTHXBNEJFC-UHFFFAOYSA-N
XLogP10.53
TPSA61.43 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.95
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine with MolForge

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Related Compounds

2-{5-[2-(4-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-ethyl}-piperazin-1-yl)-ethoxy]-1H-indol-3-yl}-ethylamine
CID 10791244
8-Methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole
CID 122186422
8-Methoxy-5-[9-(8-methoxy-2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]-2-methylpyrido[4,3-b]indol-2-ium diiodide
CID 122186431
3-[[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035273
3-[[6-[bis(5-methoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-methoxy-1H-indol-3-yl)methyl]-5-methoxy-1H-indole
CID 127035571
3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole
CID 127035684
1-[4-(4-Benzhydrylpiperazin-1-yl)butyl]-5-methoxyindole
CID 168288943
3-[Bis(1-butyl-5-fluoroindol-3-yl)methyl]-2-butoxy-6-methoxyquinoline
CID 162679139
5-Methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole
CID 139095734
3-Butyl-1-(4-methoxyphenyl)-6-(trifluoromethyl)indolizine
CID 139186101
6-Methoxy-9-[8-(6-methoxy-2-methylpyrido[3,4-b]indol-2-ium-9-yl)octyl]-2-methylpyrido[3,4-b]indol-2-ium diiodide
CID 177660970
3,6-Dihexoxy-9-[4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl]carbazole
CID 90793017

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine (CID 159858610) is 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine is FC(F)(F)Oc1ccc2c(ccn2CCN2CCCC2)c1.FC(F)(F)Oc1ccc2c(ccn2CCN2CCCCC2)c1.FC(F)(F)Oc1ccc2c(ccn2CCN2CCOCC2)c1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine?
The InChIKey is NQVSJTHXBNEJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O.C15H17F3N2O2.C15H17F3N2O/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;16-15(17,18)22-13-1-2-14-12(11-13)3-4-20(14)6-5-19-7-9-21-10-8-19;16-15(17,18)21-13-3-4-14-12(11-13)5-8-20(14)10-9-19-6-1-2-7-19/h4-6,9,12H,1-3,7-8,10-11H2;1-4,11H,5-10H2;3-5,8,11H,1-2,6-7,9-10H2.
What are the key properties of 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine?
1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine has a molecular weight of 924.95 g/mol, XLogP of 10.53, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole;1-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethoxy)indole;4-[2-[5-(trifluoromethoxy)indol-1-yl]ethyl]morpholine is sourced from PubChem (CID 159858610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).