5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol

C18H30N2O2 — CID 54389160

IUPAC5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESCC1CCc2c(c(O)n(C3CC(C)(C)NC(C)(C)C3)c2O)C1
InChIInChI=1S/C18H30N2O2/c1-11-6-7-13-14(8-11)16(22)20(15(13)21)12-9-17(2,3)19-18(4,5)10-12/h11-12,19,21-22H,6-10H2,1-5H3
InChIKeyVFKCQMZULIJJFX-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.51
Rot. Bonds1

About 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol

5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol (PubChem CID 54389160) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol.

Molecular Properties

Compound Name5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
PubChem CID54389160
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESCC1CCc2c(c(O)n(C3CC(C)(C)NC(C)(C)C3)c2O)C1
InChIInChI=1S/C18H30N2O2/c1-11-6-7-13-14(8-11)16(22)20(15(13)21)12-9-17(2,3)19-18(4,5)10-12/h11-12,19,21-22H,6-10H2,1-5H3
InChIKeyVFKCQMZULIJJFX-UHFFFAOYSA-N
XLogP3.51
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol with MolForge

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Related Compounds

2-Methyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 12842415
2-[6-[6-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)hexylamino]hexyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53634025
2-Ethyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53685548
2-[4-[4-(2-Hydroxyethyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53832804
1-(Dimethylamino)-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
CID 53902117
1,8,8-Trimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)-4-azatricyclo[5.2.2.02,6]undeca-2,5-diene-3,5-diol
CID 53934093
3-Dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol
CID 53934867
2-Piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54003653
4-(2-Ethylhexyl)-1-methyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undeca-2,5,8-triene-3,5-diol
CID 54051880
2-(2-Methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54081356
N'-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-N'-(1,3-dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)hexanediamide
CID 54178321
5-Methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5-dihydroisoindole-1,3-diol
CID 54198545

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The IUPAC name of 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol (CID 54389160) is 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol.
What is the SMILES notation for 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The canonical SMILES for 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol is CC1CCc2c(c(O)n(C3CC(C)(C)NC(C)(C)C3)c2O)C1.
What is the InChIKey of 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The InChIKey is VFKCQMZULIJJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-11-6-7-13-14(8-11)16(22)20(15(13)21)12-9-17(2,3)19-18(4,5)10-12/h11-12,19,21-22H,6-10H2,1-5H3.
What are the key properties of 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol has a molecular weight of 306.45 g/mol, XLogP of 3.51, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol is sourced from PubChem (CID 54389160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).