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

C24H30N2O2 — CID 10385009

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine
SMILESc1ccc2c(c1)CCC2CCCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C24H30N2O2/c1-2-7-21-19(5-1)10-11-20(21)6-4-12-25-13-15-26(16-14-25)22-8-3-9-23-24(22)28-18-17-27-23/h1-3,5,7-9,20H,4,6,10-18H2
InChIKeyIIVTVAYAEPTDFC-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.09
Rot. Bonds5

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

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine (PubChem CID 10385009) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine
PubChem CID10385009
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine
SMILESc1ccc2c(c1)CCC2CCCN1CCN(c2cccc3c2OCCO3)CC1
InChIInChI=1S/C24H30N2O2/c1-2-7-21-19(5-1)10-11-20(21)6-4-12-25-13-15-26(16-14-25)22-8-3-9-23-24(22)28-18-17-27-23/h1-3,5,7-9,20H,4,6,10-18H2
InChIKeyIIVTVAYAEPTDFC-UHFFFAOYSA-N
XLogP4.09
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine (CID 10385009) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine is c1ccc2c(c1)CCC2CCCN1CCN(c2cccc3c2OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine?
The InChIKey is IIVTVAYAEPTDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-2-7-21-19(5-1)10-11-20(21)6-4-12-25-13-15-26(16-14-25)22-8-3-9-23-24(22)28-18-17-27-23/h1-3,5,7-9,20H,4,6,10-18H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine has a molecular weight of 378.52 g/mol, XLogP of 4.09, 5 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-[3-(2,3-dihydro-1H-inden-1-yl)propyl]piperazine is sourced from PubChem (CID 10385009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).