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

C18H30N2O2 — CID 54309082

IUPAC4-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESCC1CCCc2c1c(O)n(C1CC(C)(C)NC(C)(C)C1)c2O
InChIInChI=1S/C18H30N2O2/c1-11-7-6-8-13-14(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
InChIKeySJPTYVSIEQODKA-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.82
Rot. Bonds1

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

4-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol (PubChem CID 54309082) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol.

Molecular Properties

Compound Name4-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
PubChem CID54309082
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name4-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESCC1CCCc2c1c(O)n(C1CC(C)(C)NC(C)(C)C1)c2O
InChIInChI=1S/C18H30N2O2/c1-11-7-6-8-13-14(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
InChIKeySJPTYVSIEQODKA-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
3-Dodecan-3-yl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-diol
CID 53721464
3-Dodecyl-1-(2,2,4,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol
CID 53782063
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
2-Methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol
CID 54035560
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The IUPAC name of 4-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol (CID 54309082) is 4-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol.
What is the SMILES notation for 4-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The canonical SMILES for 4-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol is CC1CCCc2c1c(O)n(C1CC(C)(C)NC(C)(C)C1)c2O.
What is the InChIKey of 4-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The InChIKey is SJPTYVSIEQODKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-11-7-6-8-13-14(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 4-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
4-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 3.82, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol is sourced from PubChem (CID 54309082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).