8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole

C13H16N2O2 — CID 96598907

IUPAC8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCOc1ccc2c(cc3n2CCNC3)c1OC
InChIInChI=1S/C13H16N2O2/c1-16-12-4-3-11-10(13(12)17-2)7-9-8-14-5-6-15(9)11/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyTVMRHWJYXKAFFO-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.76
Rot. Bonds2

About 8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole

8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 96598907) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID96598907
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCOc1ccc2c(cc3n2CCNC3)c1OC
InChIInChI=1S/C13H16N2O2/c1-16-12-4-3-11-10(13(12)17-2)7-9-8-14-5-6-15(9)11/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyTVMRHWJYXKAFFO-UHFFFAOYSA-N
XLogP1.76
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 96594157
6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 84740760
6-(2-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 82391201
6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83820244
1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine
CID 144723256
7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 84742786
1-(3,4,5-trimethoxyphenyl)piperazine;hydrobromide
CID 12899422
6-methoxy-9,10-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84626274
6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 135129321
1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
CID 82411599
3-(3-bromo-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 103523653
1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
CID 83934072

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of 8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 96598907) is 8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for 8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for 8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole is COc1ccc2c(cc3n2CCNC3)c1OC.
What is the InChIKey of 8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is TVMRHWJYXKAFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-16-12-4-3-11-10(13(12)17-2)7-9-8-14-5-6-15(9)11/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of 8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole has a molecular weight of 232.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 96598907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).