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

C14H16ClFN2O2 — CID 22247871

IUPAC4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione;hydrochloride
SMILESCl.O=C1c2cccc(F)c2C(=O)N1CC1CCNCC1
InChIInChI=1S/C14H15FN2O2.ClH/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;1H
InChIKeyHEEIYNQORZEMJM-UHFFFAOYSA-N
MW298.74 g/mol
LogP1.84
Rot. Bonds2

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

4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione;hydrochloride (PubChem CID 22247871) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.74 g/mol. Its IUPAC name is 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione;hydrochloride
PubChem CID22247871
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.74 g/mol
Exact Mass298.09
IUPAC Name4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione;hydrochloride
SMILESCl.O=C1c2cccc(F)c2C(=O)N1CC1CCNCC1
InChIInChI=1S/C14H15FN2O2.ClH/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;1H
InChIKeyHEEIYNQORZEMJM-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.74
LogP ≤ 51.84
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;hydrochloride?
The IUPAC name of 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione;hydrochloride (CID 22247871) is 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione;hydrochloride is Cl.O=C1c2cccc(F)c2C(=O)N1CC1CCNCC1.
What is the InChIKey of 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione;hydrochloride?
The InChIKey is HEEIYNQORZEMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2.ClH/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;1H.
What are the key properties of 4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione;hydrochloride?
4-fluoro-2-(piperidin-4-ylmethyl)isoindole-1,3-dione;hydrochloride has a molecular weight of 298.74 g/mol, XLogP of 1.84, 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;hydrochloride is sourced from PubChem (CID 22247871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).