1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole

C22H24FN3O2 — CID 22725269

IUPAC1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole
SMILESFc1ccc2c(ccn2CCN2CCN(c3cccc4c3OCCO4)CC2)c1
InChIInChI=1S/C22H24FN3O2/c23-18-4-5-19-17(16-18)6-7-25(19)11-8-24-9-12-26(13-10-24)20-2-1-3-21-22(20)28-15-14-27-21/h1-7,16H,8-15H2
InChIKeyKRJUFHLSRSVBPO-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.37
Rot. Bonds4

About 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole

1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole (PubChem CID 22725269) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole.

Molecular Properties

Compound Name1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole
PubChem CID22725269
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole
SMILESFc1ccc2c(ccn2CCN2CCN(c3cccc4c3OCCO4)CC2)c1
InChIInChI=1S/C22H24FN3O2/c23-18-4-5-19-17(16-18)6-7-25(19)11-8-24-9-12-26(13-10-24)20-2-1-3-21-22(20)28-15-14-27-21/h1-7,16H,8-15H2
InChIKeyKRJUFHLSRSVBPO-UHFFFAOYSA-N
XLogP3.37
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole?
The IUPAC name of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole (CID 22725269) is 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole.
What is the SMILES notation for 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole?
The canonical SMILES for 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole is Fc1ccc2c(ccn2CCN2CCN(c3cccc4c3OCCO4)CC2)c1.
What is the InChIKey of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole?
The InChIKey is KRJUFHLSRSVBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-18-4-5-19-17(16-18)6-7-25(19)11-8-24-9-12-26(13-10-24)20-2-1-3-21-22(20)28-15-14-27-21/h1-7,16H,8-15H2.
What are the key properties of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole?
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole has a molecular weight of 381.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoroindole is sourced from PubChem (CID 22725269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).