2-(4-benzylpiperidin-2-yl)-5-fluoroisoindole-1,3-dione

C20H19FN2O2 — CID 57173360

IUPAC2-(4-benzylpiperidin-2-yl)-5-fluoroisoindole-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)N1C1CC(Cc2ccccc2)CCN1
InChIInChI=1S/C20H19FN2O2/c21-15-6-7-16-17(12-15)20(25)23(19(16)24)18-11-14(8-9-22-18)10-13-4-2-1-3-5-13/h1-7,12,14,18,22H,8-11H2
InChIKeyLJQKUEZDEMXMDS-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.99
Rot. Bonds3

About 2-(4-benzylpiperidin-2-yl)-5-fluoroisoindole-1,3-dione

2-(4-benzylpiperidin-2-yl)-5-fluoroisoindole-1,3-dione (PubChem CID 57173360) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-2-yl)-5-fluoroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-benzylpiperidin-2-yl)-5-fluoroisoindole-1,3-dione
PubChem CID57173360
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name2-(4-benzylpiperidin-2-yl)-5-fluoroisoindole-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)N1C1CC(Cc2ccccc2)CCN1
InChIInChI=1S/C20H19FN2O2/c21-15-6-7-16-17(12-15)20(25)23(19(16)24)18-11-14(8-9-22-18)10-13-4-2-1-3-5-13/h1-7,12,14,18,22H,8-11H2
InChIKeyLJQKUEZDEMXMDS-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-2,4-dibenzylpiperidine
CID 101092769
1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-6-fluoroindole-2,3-dione
CID 9193463
5-benzyldiazepane
CID 154443129
(4-benzylpiperidin-2-yl)methanol
CID 91169099
1-[[(2S,4S)-4-benzylpiperidin-2-yl]methyl]-3-(3-fluorophenyl)urea
CID 22966146
3-(4-benzylpiperidin-1-yl)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543753
4-[(3-fluorophenyl)methyl]cyclohexan-1-one
CID 83262075
2-[(4-benzylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 674319
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
2-benzyl-9-fluoro-3,4,4a,6-tetrahydrobenzo[c][2,6]naphthyridin-5-one
CID 10733595
5-benzyl-3-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]imidazolidine-2,4-dione
CID 138037874
9-benzyl-2-fluoro-9H-fluorene
CID 178120274

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-2-yl)-5-fluoroisoindole-1,3-dione?
The IUPAC name of 2-(4-benzylpiperidin-2-yl)-5-fluoroisoindole-1,3-dione (CID 57173360) is 2-(4-benzylpiperidin-2-yl)-5-fluoroisoindole-1,3-dione.
What is the SMILES notation for 2-(4-benzylpiperidin-2-yl)-5-fluoroisoindole-1,3-dione?
The canonical SMILES for 2-(4-benzylpiperidin-2-yl)-5-fluoroisoindole-1,3-dione is O=C1c2ccc(F)cc2C(=O)N1C1CC(Cc2ccccc2)CCN1.
What is the InChIKey of 2-(4-benzylpiperidin-2-yl)-5-fluoroisoindole-1,3-dione?
The InChIKey is LJQKUEZDEMXMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-15-6-7-16-17(12-15)20(25)23(19(16)24)18-11-14(8-9-22-18)10-13-4-2-1-3-5-13/h1-7,12,14,18,22H,8-11H2.
What are the key properties of 2-(4-benzylpiperidin-2-yl)-5-fluoroisoindole-1,3-dione?
2-(4-benzylpiperidin-2-yl)-5-fluoroisoindole-1,3-dione has a molecular weight of 338.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-2-yl)-5-fluoroisoindole-1,3-dione is sourced from PubChem (CID 57173360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).