5-ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole

C16H24F3N3 — CID 150109115

IUPAC5-ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole
SMILESCCC1(C(F)(F)F)CC2=C(C=C1N1CCN(C)CC1)NCC2
InChIInChI=1S/C16H24F3N3/c1-3-15(16(17,18)19)11-12-4-5-20-13(12)10-14(15)22-8-6-21(2)7-9-22/h10,20H,3-9,11H2,1-2H3
InChIKeyDWWHAYZXYSBEHW-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.73
Rot. Bonds2

About 5-ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole

5-ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole (PubChem CID 150109115) has the molecular formula C16H24F3N3 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole.

Molecular Properties

Compound Name5-ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole
PubChem CID150109115
Molecular FormulaC16H24F3N3
Molecular Weight315.38 g/mol
Exact Mass315.19
IUPAC Name5-ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole
SMILESCCC1(C(F)(F)F)CC2=C(C=C1N1CCN(C)CC1)NCC2
InChIInChI=1S/C16H24F3N3/c1-3-15(16(17,18)19)11-12-4-5-20-13(12)10-14(15)22-8-6-21(2)7-9-22/h10,20H,3-9,11H2,1-2H3
InChIKeyDWWHAYZXYSBEHW-UHFFFAOYSA-N
XLogP2.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole?
The IUPAC name of 5-ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole (CID 150109115) is 5-ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole.
What is the SMILES notation for 5-ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole?
The canonical SMILES for 5-ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole is CCC1(C(F)(F)F)CC2=C(C=C1N1CCN(C)CC1)NCC2.
What is the InChIKey of 5-ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole?
The InChIKey is DWWHAYZXYSBEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3/c1-3-15(16(17,18)19)11-12-4-5-20-13(12)10-14(15)22-8-6-21(2)7-9-22/h10,20H,3-9,11H2,1-2H3.
What are the key properties of 5-ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole?
5-ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole has a molecular weight of 315.38 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)-1,2,3,4-tetrahydroindole is sourced from PubChem (CID 150109115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).