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

C19H24N2O3 — CID 90819147

IUPAC2-benzyl-5-morpholin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1Cc1ccccc1)CC(N1CCOCC1)CC2
InChIInChI=1S/C19H24N2O3/c22-18-16-7-6-15(20-8-10-24-11-9-20)12-17(16)19(23)21(18)13-14-4-2-1-3-5-14/h1-5,15,22-23H,6-13H2
InChIKeyLRGPDZVRGIIULG-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.14
Rot. Bonds3

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

2-benzyl-5-morpholin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol (PubChem CID 90819147) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-benzyl-5-morpholin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-benzyl-5-morpholin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol
PubChem CID90819147
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-benzyl-5-morpholin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1Cc1ccccc1)CC(N1CCOCC1)CC2
InChIInChI=1S/C19H24N2O3/c22-18-16-7-6-15(20-8-10-24-11-9-20)12-17(16)19(23)21(18)13-14-4-2-1-3-5-14/h1-5,15,22-23H,6-13H2
InChIKeyLRGPDZVRGIIULG-UHFFFAOYSA-N
XLogP2.14
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53667579
2-[3-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53783555
2-[4-[4-[(4-Fluorophenyl)-methoxymethyl]piperidin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54030180
2-[4-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54291137
2-[4-(4-Benzylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53659326
2-[3-(4-Phenylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53714292
2-[4-(4-Phenylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53851834
2-[4-(4-Benzhydrylpiperazin-1-yl)butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53861849
2-[4-[4-(4-Methylphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54004844
2-(2-Hydroxyethyl)-4,5-dihydrobenzo[e]isoindole-1,3-diol
CID 54199171
2-[4-[4-(2-Methylphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 54224181
2-(2-Phenylethyl)-4,5-dihydroisoindole-1,3-diol
CID 54244494

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-morpholin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol?
The IUPAC name of 2-benzyl-5-morpholin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol (CID 90819147) is 2-benzyl-5-morpholin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol.
What is the SMILES notation for 2-benzyl-5-morpholin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol?
The canonical SMILES for 2-benzyl-5-morpholin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol is Oc1c2c(c(O)n1Cc1ccccc1)CC(N1CCOCC1)CC2.
What is the InChIKey of 2-benzyl-5-morpholin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol?
The InChIKey is LRGPDZVRGIIULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-18-16-7-6-15(20-8-10-24-11-9-20)12-17(16)19(23)21(18)13-14-4-2-1-3-5-14/h1-5,15,22-23H,6-13H2.
What are the key properties of 2-benzyl-5-morpholin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol?
2-benzyl-5-morpholin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol has a molecular weight of 328.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-morpholin-4-yl-4,5,6,7-tetrahydroisoindole-1,3-diol is sourced from PubChem (CID 90819147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).