1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol

C18H26N2O — CID 82965163

IUPAC1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol
SMILESCC1CN2CCCCC2CN1C1CCc2c(O)cccc21
InChIInChI=1S/C18H26N2O/c1-13-11-19-10-3-2-5-14(19)12-20(13)17-9-8-16-15(17)6-4-7-18(16)21/h4,6-7,13-14,17,21H,2-3,5,8-12H2,1H3
InChIKeyXSAHHVGOSOFUFX-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.94
Rot. Bonds1

About 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol

1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol (PubChem CID 82965163) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol
PubChem CID82965163
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol
SMILESCC1CN2CCCCC2CN1C1CCc2c(O)cccc21
InChIInChI=1S/C18H26N2O/c1-13-11-19-10-3-2-5-14(19)12-20(13)17-9-8-16-15(17)6-4-7-18(16)21/h4,6-7,13-14,17,21H,2-3,5,8-12H2,1H3
InChIKeyXSAHHVGOSOFUFX-UHFFFAOYSA-N
XLogP2.94
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol with MolForge

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Related Compounds

1-(3-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-ol
CID 82974804
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79936509
5-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82982641
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-ol
CID 115824897
trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol
CID 102734859
1-(2-methylmorpholin-4-yl)-2,3-dihydro-1H-inden-4-ol
CID 82977779
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol
CID 79930431
1-(4-ethylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-ol
CID 82986053
3-methyl-2-(2-phenylcyclopropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916874
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 102888008
5-(4-propan-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 82976978
2-(2,3-dichlorophenyl)-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925914

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol (CID 82965163) is 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol is CC1CN2CCCCC2CN1C1CCc2c(O)cccc21.
What is the InChIKey of 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is XSAHHVGOSOFUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-11-19-10-3-2-5-14(19)12-20(13)17-9-8-16-15(17)6-4-7-18(16)21/h4,6-7,13-14,17,21H,2-3,5,8-12H2,1H3.
What are the key properties of 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol?
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 286.42 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 82965163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).