2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-diol

C13H16N2O4 — CID 163211256

IUPAC2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-diol
SMILESOc1c2ccccc2c(O)n1C1CCC(O)NC1O
InChIInChI=1S/C13H16N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9-11,14,16-19H,5-6H2
InChIKeyAFAWSEKELZJBTF-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.61
Rot. Bonds1

About 2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-diol

2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-diol (PubChem CID 163211256) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-diol.

Molecular Properties

Compound Name2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-diol
PubChem CID163211256
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-diol
SMILESOc1c2ccccc2c(O)n1C1CCC(O)NC1O
InChIInChI=1S/C13H16N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9-11,14,16-19H,5-6H2
InChIKeyAFAWSEKELZJBTF-UHFFFAOYSA-N
XLogP0.61
TPSA97.88 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-diol?
The IUPAC name of 2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-diol (CID 163211256) is 2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-diol.
What is the SMILES notation for 2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-diol?
The canonical SMILES for 2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-diol is Oc1c2ccccc2c(O)n1C1CCC(O)NC1O.
What is the InChIKey of 2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-diol?
The InChIKey is AFAWSEKELZJBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9-11,14,16-19H,5-6H2.
What are the key properties of 2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-diol?
2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-diol has a molecular weight of 264.28 g/mol, XLogP of 0.61, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-diol is sourced from PubChem (CID 163211256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).