1-propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole

C15H17F3N2 — CID 90960236

IUPAC1-propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole
SMILESCC(C)C1=NC=CN2CC3C(=CC=CC3C(F)(F)F)C12
InChIInChI=1S/C15H17F3N2/c1-9(2)13-14-10-4-3-5-12(15(16,17)18)11(10)8-20(14)7-6-19-13/h3-7,9,11-12,14H,8H2,1-2H3
InChIKeySZLKLDWRENUBNS-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.54
Rot. Bonds1

About 1-propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole

1-propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole (PubChem CID 90960236) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole.

Molecular Properties

Compound Name1-propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole
PubChem CID90960236
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name1-propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole
SMILESCC(C)C1=NC=CN2CC3C(=CC=CC3C(F)(F)F)C12
InChIInChI=1S/C15H17F3N2/c1-9(2)13-14-10-4-3-5-12(15(16,17)18)11(10)8-20(14)7-6-19-13/h3-7,9,11-12,14H,8H2,1-2H3
InChIKeySZLKLDWRENUBNS-UHFFFAOYSA-N
XLogP3.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclopropyl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole
CID 91143835
6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole
CID 70187424
9-Ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole
CID 91130499
4-(3,4-Dihydropyridin-5-yl)-1-ethyl-2,3,3a,6,7,7a-hexahydroindole
CID 167254275

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole?
The IUPAC name of 1-propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole (CID 90960236) is 1-propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole.
What is the SMILES notation for 1-propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole?
The canonical SMILES for 1-propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole is CC(C)C1=NC=CN2CC3C(=CC=CC3C(F)(F)F)C12.
What is the InChIKey of 1-propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole?
The InChIKey is SZLKLDWRENUBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-9(2)13-14-10-4-3-5-12(15(16,17)18)11(10)8-20(14)7-6-19-13/h3-7,9,11-12,14H,8H2,1-2H3.
What are the key properties of 1-propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole?
1-propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole has a molecular weight of 282.31 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-7-(trifluoromethyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole is sourced from PubChem (CID 90960236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).