2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C19H19FN2O3 — CID 3147867

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1COc2ccccc2O1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H19FN2O3/c20-14-5-1-2-6-15(14)21-9-11-22(12-10-21)19(23)18-13-24-16-7-3-4-8-17(16)25-18/h1-8,18H,9-13H2
InChIKeyTVRAVVFFPOBUTC-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.31
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone

2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 3147867) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID3147867
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1COc2ccccc2O1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H19FN2O3/c20-14-5-1-2-6-15(14)21-9-11-22(12-10-21)19(23)18-13-24-16-7-3-4-8-17(16)25-18/h1-8,18H,9-13H2
InChIKeyTVRAVVFFPOBUTC-UHFFFAOYSA-N
XLogP2.31
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 3147867) is 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(C1COc2ccccc2O1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is TVRAVVFFPOBUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-14-5-1-2-6-15(14)21-9-11-22(12-10-21)19(23)18-13-24-16-7-3-4-8-17(16)25-18/h1-8,18H,9-13H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 342.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3147867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).