6-[[4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one

C20H22N2O3 — CID 126650398

IUPAC6-[[4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(OCC3CNCCC3c3ccc(O)cc3)cc21
InChIInChI=1S/C20H22N2O3/c23-16-4-1-13(2-5-16)18-7-8-21-10-15(18)12-25-17-6-3-14-11-22-20(24)19(14)9-17/h1-6,9,15,18,21,23H,7-8,10-12H2,(H,22,24)
InChIKeyJEUDRPLFFGARNP-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.41
Rot. Bonds4

About 6-[[4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one

6-[[4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one (PubChem CID 126650398) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-[[4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-[[4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one
PubChem CID126650398
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name6-[[4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(OCC3CNCCC3c3ccc(O)cc3)cc21
InChIInChI=1S/C20H22N2O3/c23-16-4-1-13(2-5-16)18-7-8-21-10-15(18)12-25-17-6-3-14-11-22-20(24)19(14)9-17/h1-6,9,15,18,21,23H,7-8,10-12H2,(H,22,24)
InChIKeyJEUDRPLFFGARNP-UHFFFAOYSA-N
XLogP2.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-[[4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one (CID 126650398) is 6-[[4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-[[4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-[[4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one is O=C1NCc2ccc(OCC3CNCCC3c3ccc(O)cc3)cc21.
What is the InChIKey of 6-[[4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one?
The InChIKey is JEUDRPLFFGARNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-16-4-1-13(2-5-16)18-7-8-21-10-15(18)12-25-17-6-3-14-11-22-20(24)19(14)9-17/h1-6,9,15,18,21,23H,7-8,10-12H2,(H,22,24).
What are the key properties of 6-[[4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one?
6-[[4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one has a molecular weight of 338.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-hydroxyphenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 126650398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).