4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione

C14H15FN2O2 — CID 22247872

IUPAC4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2cccc(F)c2C(=O)N1CC1CCNCC1
InChIInChI=1S/C14H15FN2O2/c15-11-3-1-2-10-12(11)14(19)17(13(10)18)8-9-4-6-16-7-5-9/h1-3,9,16H,4-8H2
InChIKeyOYTAUTHOFGFPCR-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.42
Rot. Bonds2

About 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione

4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione (PubChem CID 22247872) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione
PubChem CID22247872
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2cccc(F)c2C(=O)N1CC1CCNCC1
InChIInChI=1S/C14H15FN2O2/c15-11-3-1-2-10-12(11)14(19)17(13(10)18)8-9-4-6-16-7-5-9/h1-3,9,16H,4-8H2
InChIKeyOYTAUTHOFGFPCR-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione (CID 22247872) is 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione is O=C1c2cccc(F)c2C(=O)N1CC1CCNCC1.
What is the InChIKey of 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione?
The InChIKey is OYTAUTHOFGFPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-11-3-1-2-10-12(11)14(19)17(13(10)18)8-9-4-6-16-7-5-9/h1-3,9,16H,4-8H2.
What are the key properties of 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione?
4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione has a molecular weight of 262.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 22247872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).