2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydroisoindol-4-ol

C15H18N2O — CID 83208750

IUPAC2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(CCc3ccncc3)cc21
InChIInChI=1S/C15H18N2O/c18-15-3-1-2-13-10-17(11-14(13)15)9-6-12-4-7-16-8-5-12/h4-5,7-8,10-11,15,18H,1-3,6,9H2
InChIKeyHWDNABSQAKCZBI-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.50
Rot. Bonds3

About 2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydroisoindol-4-ol

2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydroisoindol-4-ol (PubChem CID 83208750) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydroisoindol-4-ol.

Molecular Properties

Compound Name2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydroisoindol-4-ol
PubChem CID83208750
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(CCc3ccncc3)cc21
InChIInChI=1S/C15H18N2O/c18-15-3-1-2-13-10-17(11-14(13)15)9-6-12-4-7-16-8-5-12/h4-5,7-8,10-11,15,18H,1-3,6,9H2
InChIKeyHWDNABSQAKCZBI-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydroisoindol-4-ol?
The IUPAC name of 2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydroisoindol-4-ol (CID 83208750) is 2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydroisoindol-4-ol.
What is the SMILES notation for 2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydroisoindol-4-ol?
The canonical SMILES for 2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydroisoindol-4-ol is OC1CCCc2cn(CCc3ccncc3)cc21.
What is the InChIKey of 2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydroisoindol-4-ol?
The InChIKey is HWDNABSQAKCZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15-3-1-2-13-10-17(11-14(13)15)9-6-12-4-7-16-8-5-12/h4-5,7-8,10-11,15,18H,1-3,6,9H2.
What are the key properties of 2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydroisoindol-4-ol?
2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydroisoindol-4-ol has a molecular weight of 242.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydroisoindol-4-ol is sourced from PubChem (CID 83208750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).