2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione

C19H17FN2O3 — CID 168518278

IUPAC2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1c(F)cccc1N1CCC(O)CC1
InChIInChI=1S/C19H17FN2O3/c20-15-6-3-7-16(21-10-8-12(23)9-11-21)17(15)22-18(24)13-4-1-2-5-14(13)19(22)25/h1-7,12,23H,8-11H2
InChIKeyCKLKWIICDWKLPS-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.59
Rot. Bonds2

About 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione

2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione (PubChem CID 168518278) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione
PubChem CID168518278
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1c(F)cccc1N1CCC(O)CC1
InChIInChI=1S/C19H17FN2O3/c20-15-6-3-7-16(21-10-8-12(23)9-11-21)17(15)22-18(24)13-4-1-2-5-14(13)19(22)25/h1-7,12,23H,8-11H2
InChIKeyCKLKWIICDWKLPS-UHFFFAOYSA-N
XLogP2.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[3-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]isoindole-1,3-dione
CID 168519318
1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol
CID 110018792
2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione
CID 114259645
2-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]benzamide
CID 110900198
1-[2-(2-fluorophenyl)-3,6-dimethylphenyl]piperidin-4-ol
CID 54082459
dimethyl 1-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]azepine-2,3-dicarboxylate
CID 168648724
2-(2,3,5,6-tetrafluorophenyl)isoindole-1,3-dione
CID 168516039
1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine
CID 168514829
1-(2-fluoro-6-nitrophenyl)pyrrolidin-3-ol
CID 75993954
2-(3-fluoro-4-thiomorpholin-4-ylphenyl)isoindole-1,3-dione
CID 168516267
1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688
1-(2,5-difluorophenyl)piperidin-4-ol
CID 141069702

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione (CID 168518278) is 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1c(F)cccc1N1CCC(O)CC1.
What is the InChIKey of 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione?
The InChIKey is CKLKWIICDWKLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-15-6-3-7-16(21-10-8-12(23)9-11-21)17(15)22-18(24)13-4-1-2-5-14(13)19(22)25/h1-7,12,23H,8-11H2.
What are the key properties of 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione?
2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione has a molecular weight of 340.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168518278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).