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

C17H28N2O2 — CID 54350077

IUPAC2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESCC1(C)CC(n2c(O)c3c(c2O)CCCC3)CC(C)(C)N1
InChIInChI=1S/C17H28N2O2/c1-16(2)9-11(10-17(3,4)18-16)19-14(20)12-7-5-6-8-13(12)15(19)21/h11,18,20-21H,5-10H2,1-4H3
InChIKeyUFCHDSQUXANZFE-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.26
Rot. Bonds1

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

2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol (PubChem CID 54350077) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
PubChem CID54350077
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESCC1(C)CC(n2c(O)c3c(c2O)CCCC3)CC(C)(C)N1
InChIInChI=1S/C17H28N2O2/c1-16(2)9-11(10-17(3,4)18-16)19-14(20)12-7-5-6-8-13(12)15(19)21/h11,18,20-21H,5-10H2,1-4H3
InChIKeyUFCHDSQUXANZFE-UHFFFAOYSA-N
XLogP3.26
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 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-Bromobutyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53721158
3-Dodecan-3-yl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrole-2,5-diol
CID 53721464
2-(2-Hydroxyethyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53743516
3-Dodecyl-1-(2,2,4,6-tetramethylpiperidin-4-yl)pyrrole-2,5-diol
CID 53782063
2-(1-Sulfanylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53827900
2-[4-[4-(2-Hydroxyethyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53832804
18-Methyl-18-azabicyclo[14.3.0]nonadeca-1(19),16-diene-17,19-diol
CID 53928667
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol (CID 54350077) is 2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol.
What is the SMILES notation for 2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The canonical SMILES for 2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol is CC1(C)CC(n2c(O)c3c(c2O)CCCC3)CC(C)(C)N1.
What is the InChIKey of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The InChIKey is UFCHDSQUXANZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-16(2)9-11(10-17(3,4)18-16)19-14(20)12-7-5-6-8-13(12)15(19)21/h11,18,20-21H,5-10H2,1-4H3.
What are the key properties of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol has a molecular weight of 292.42 g/mol, XLogP of 3.26, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethylpiperidin-4-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol is sourced from PubChem (CID 54350077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).