1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-methoxy-2,3-dihydro-1H-inden-2-yl)piperazine

C22H26N2O3 — CID 59144709

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-methoxy-2,3-dihydro-1H-inden-2-yl)piperazine
SMILESCOc1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2
InChIInChI=1S/C22H26N2O3/c1-25-19-6-5-16-13-18(14-17(16)15-19)23-7-9-24(10-8-23)20-3-2-4-21-22(20)27-12-11-26-21/h2-6,15,18H,7-14H2,1H3
InChIKeyFLDVWDTUTDKPFU-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.76
Rot. Bonds3

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

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-methoxy-2,3-dihydro-1H-inden-2-yl)piperazine (PubChem CID 59144709) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-methoxy-2,3-dihydro-1H-inden-2-yl)piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-methoxy-2,3-dihydro-1H-inden-2-yl)piperazine
PubChem CID59144709
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-methoxy-2,3-dihydro-1H-inden-2-yl)piperazine
SMILESCOc1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2
InChIInChI=1S/C22H26N2O3/c1-25-19-6-5-16-13-18(14-17(16)15-19)23-7-9-24(10-8-23)20-3-2-4-21-22(20)27-12-11-26-21/h2-6,15,18H,7-14H2,1H3
InChIKeyFLDVWDTUTDKPFU-UHFFFAOYSA-N
XLogP2.76
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-methoxy-2,3-dihydro-1H-inden-2-yl)piperazine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-methoxy-2,3-dihydro-1H-inden-2-yl)piperazine (CID 59144709) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-methoxy-2,3-dihydro-1H-inden-2-yl)piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-methoxy-2,3-dihydro-1H-inden-2-yl)piperazine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-methoxy-2,3-dihydro-1H-inden-2-yl)piperazine is COc1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-methoxy-2,3-dihydro-1H-inden-2-yl)piperazine?
The InChIKey is FLDVWDTUTDKPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-25-19-6-5-16-13-18(14-17(16)15-19)23-7-9-24(10-8-23)20-3-2-4-21-22(20)27-12-11-26-21/h2-6,15,18H,7-14H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-methoxy-2,3-dihydro-1H-inden-2-yl)piperazine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-methoxy-2,3-dihydro-1H-inden-2-yl)piperazine has a molecular weight of 366.46 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-methoxy-2,3-dihydro-1H-inden-2-yl)piperazine is sourced from PubChem (CID 59144709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).