9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole

C12H16N2O — CID 23456506

IUPAC9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole
SMILESCOc1ccc2c(c1)C1CNCCN1C2
InChIInChI=1S/C12H16N2O/c1-15-10-3-2-9-8-14-5-4-13-7-12(14)11(9)6-10/h2-3,6,12-13H,4-5,7-8H2,1H3
InChIKeyUOLAPQGEEMDIIV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.16
Rot. Bonds1

About 9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole

9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole (PubChem CID 23456506) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole.

Molecular Properties

Compound Name9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole
PubChem CID23456506
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole
SMILESCOc1ccc2c(c1)C1CNCCN1C2
InChIInChI=1S/C12H16N2O/c1-15-10-3-2-9-8-14-5-4-13-7-12(14)11(9)6-10/h2-3,6,12-13H,4-5,7-8H2,1H3
InChIKeyUOLAPQGEEMDIIV-UHFFFAOYSA-N
XLogP1.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9169269
5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole
CID 82023787
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
CID 54914447
1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane
CID 91603209
2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)isoindole-1,3-dione;hydrochloride
CID 122444716
(4aS)-9-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 11148681
(7R,11bS)-7-(2-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 57134658
10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 23333695
10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride
CID 121003869
(1R)-6,19-dimethoxy-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16(21),17,19-heptaene
CID 137467201
(7S,11bR)-8-methoxy-7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 70382095
5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115004341

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole?
The IUPAC name of 9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole (CID 23456506) is 9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole.
What is the SMILES notation for 9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole?
The canonical SMILES for 9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole is COc1ccc2c(c1)C1CNCCN1C2.
What is the InChIKey of 9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole?
The InChIKey is UOLAPQGEEMDIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-15-10-3-2-9-8-14-5-4-13-7-12(14)11(9)6-10/h2-3,6,12-13H,4-5,7-8H2,1H3.
What are the key properties of 9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole?
9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole has a molecular weight of 204.27 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole is sourced from PubChem (CID 23456506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).