1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine

C23H26N2O2 — CID 10451312

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine
SMILESC1=C(CCN2CCN(c3cccc4c3OCCO4)CC2)c2ccccc2C1
InChIInChI=1S/C23H26N2O2/c1-2-5-20-18(4-1)8-9-19(20)10-11-24-12-14-25(15-13-24)21-6-3-7-22-23(21)27-17-16-26-22/h1-7,9H,8,10-17H2
InChIKeyHUWKCPFVNWFSLI-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.61
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine (PubChem CID 10451312) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine
PubChem CID10451312
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine
SMILESC1=C(CCN2CCN(c3cccc4c3OCCO4)CC2)c2ccccc2C1
InChIInChI=1S/C23H26N2O2/c1-2-5-20-18(4-1)8-9-19(20)10-11-24-12-14-25(15-13-24)21-6-3-7-22-23(21)27-17-16-26-22/h1-7,9H,8,10-17H2
InChIKeyHUWKCPFVNWFSLI-UHFFFAOYSA-N
XLogP3.61
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine 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-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine (CID 10451312) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine is C1=C(CCN2CCN(c3cccc4c3OCCO4)CC2)c2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine?
The InChIKey is HUWKCPFVNWFSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-2-5-20-18(4-1)8-9-19(20)10-11-24-12-14-25(15-13-24)21-6-3-7-22-23(21)27-17-16-26-22/h1-7,9H,8,10-17H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine has a molecular weight of 362.47 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(3H-inden-1-yl)ethyl]piperazine is sourced from PubChem (CID 10451312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).