2-piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol

C13H20N2O2 — CID 54003653

IUPAC2-piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1C1CCNCC1)CCCC2
InChIInChI=1S/C13H20N2O2/c16-12-10-3-1-2-4-11(10)13(17)15(12)9-5-7-14-8-6-9/h9,14,16-17H,1-8H2
InChIKeyKNISSPXKQOJFDJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.70
Rot. Bonds1

About 2-piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol

2-piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol (PubChem CID 54003653) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol
PubChem CID54003653
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1C1CCNCC1)CCCC2
InChIInChI=1S/C13H20N2O2/c16-12-10-3-1-2-4-11(10)13(17)15(12)9-5-7-14-8-6-9/h9,14,16-17H,1-8H2
InChIKeyKNISSPXKQOJFDJ-UHFFFAOYSA-N
XLogP1.70
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,6,7-tetrahydro-2H-isoindole-1,3-diol
CID 53631539
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
4-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)butanoic acid
CID 53714698
2-(4-Bromobutyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53721158
2-(2-Hydroxyethyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53743516
2-(2-Sulfanylethyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53803150
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
1,3-Dihydroxy-4,5,6,7-tetrahydroisoindole-2-carbonitrile
CID 53836461
2-(5-Aminopentyl)-4,7-dihydroisoindole-1,3-diol
CID 53881224

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol?
The IUPAC name of 2-piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol (CID 54003653) is 2-piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol.
What is the SMILES notation for 2-piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol?
The canonical SMILES for 2-piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol is Oc1c2c(c(O)n1C1CCNCC1)CCCC2.
What is the InChIKey of 2-piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol?
The InChIKey is KNISSPXKQOJFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-12-10-3-1-2-4-11(10)13(17)15(12)9-5-7-14-8-6-9/h9,14,16-17H,1-8H2.
What are the key properties of 2-piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol?
2-piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol has a molecular weight of 236.31 g/mol, XLogP of 1.70, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol is sourced from PubChem (CID 54003653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).