1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperazine;bis(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-nitro-2,3-dihydro-1H-inden-2-yl)piperazine;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol

C172H198FN17O25 — CID 162017558

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperazine;bis(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-nitro-2,3-dihydro-1H-inden-2-yl)piperazine;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperazine;bis(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-nitro-2,3-dihydro-1H-inden-2-yl)piperazine;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 162017558) has the molecular formula C172H198FN17O25 and a molecular weight of 2922.57 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperazine;bis(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-nitro-2,3-dihydro-1H-inden-2-yl)piperazine;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperazine;bis(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-nitro-2,3-dihydro-1H-inden-2-yl)piperazine;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol
• PubChem CID: 162017558
• Molecular Formula: C172H198FN17O25
• Molecular Weight: 2922.57 g/mol
• Exact Mass: 2920.47
• IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperazine;bis(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-nitro-2,3-dihydro-1H-inden-2-yl)piperazine;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol
• SMILES: COc1ccc2c(c1)C(O)C(N1CCN(c3cccc4c3OCCO4)CC1)C2.COc1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2.COc1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2.COc1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2O.Fc1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2.O=[N+]([O-])c1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2.OC1c2ccccc2CC1N1CCN(c2cccc3c2OCCO3)CC1.c1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2
• InChI: InChI=1S/2C22H26N2O4.2C22H26N2O3.C21H23FN2O2.C21H23N3O4.C21H24N2O3.C21H24N2O2/c1-26-16-5-6-17-15(13-16)14-19(21(17)25)24-9-7-23(8-10-24)18-3-2-4-20-22(18)28-12-11-27-20;1-26-16-6-5-15-13-19(21(25)17(15)14-16)24-9-7-23(8-10-24)18-3-2-4-20-22(18)28-12-11-27-20;2*1-25-19-6-5-16-13-18(14-17(16)15-19)23-7-9-24(10-8-23)20-3-2-4-21-22(20)27-12-11-26-21;22-17-5-4-15-13-18(14-16(15)12-17)23-6-8-24(9-7-23)19-2-1-3-20-21(19)26-11-10-25-20;25-24(26)17-5-4-15-12-18(14-16(15)13-17)22-6-8-23(9-7-22)19-2-1-3-20-21(19)28-11-10-27-20;24-20-16-5-2-1-4-15(16)14-18(20)23-10-8-22(9-11-23)17-6-3-7-19-21(17)26-13-12-25-19;1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h2-6,13,19,21,25H,7-12,14H2,1H3;2-6,14,19,21,25H,7-13H2,1H3;2*2-6,15,18H,7-14H2,1H3;1-5,12,18H,6-11,13-14H2;1-5,13,18H,6-12,14H2;1-7,18,20,24H,8-14H2;1-7,18H,8-15H2
• InChIKey: YUHUSVFNYPZFPW-UHFFFAOYSA-N
• XLogP: 20.53
• TPSA: 340.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 41
• Rotatable Bonds: 21
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2922.57
LogP ≤ 5	20.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperazine;bis(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-nitro-2,3-dihydro-1H-inden-2-yl)piperazine;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol?

The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperazine;bis(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-nitro-2,3-dihydro-1H-inden-2-yl)piperazine;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol (CID 162017558) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperazine;bis(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-nitro-2,3-dihydro-1H-inden-2-yl)piperazine;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol.

What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperazine;bis(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-nitro-2,3-dihydro-1H-inden-2-yl)piperazine;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol?

The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperazine;bis(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-nitro-2,3-dihydro-1H-inden-2-yl)piperazine;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol is COc1ccc2c(c1)C(O)C(N1CCN(c3cccc4c3OCCO4)CC1)C2.COc1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2.COc1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2.COc1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2O.Fc1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2.O=[N+]([O-])c1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2.OC1c2ccccc2CC1N1CCN(c2cccc3c2OCCO3)CC1.c1ccc2c(c1)CC(N1CCN(c3cccc4c3OCCO4)CC1)C2.

What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperazine;bis(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-nitro-2,3-dihydro-1H-inden-2-yl)piperazine;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol?

The InChIKey is YUHUSVFNYPZFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H26N2O4.2C22H26N2O3.C21H23FN2O2.C21H23N3O4.C21H24N2O3.C21H24N2O2/c1-26-16-5-6-17-15(13-16)14-19(21(17)25)24-9-7-23(8-10-24)18-3-2-4-20-22(18)28-12-11-27-20;1-26-16-6-5-15-13-19(21(25)17(15)14-16)24-9-7-23(8-10-24)18-3-2-4-20-22(18)28-12-11-27-20;2*1-25-19-6-5-16-13-18(14-17(16)15-19)23-7-9-24(10-8-23)20-3-2-4-21-22(20)27-12-11-26-21;22-17-5-4-15-13-18(14-16(15)12-17)23-6-8-24(9-7-23)19-2-1-3-20-21(19)26-11-10-25-20;25-24(26)17-5-4-15-12-18(14-16(15)13-17)22-6-8-23(9-7-22)19-2-1-3-20-21(19)28-11-10-27-20;24-20-16-5-2-1-4-15(16)14-18(20)23-10-8-22(9-11-23)17-6-3-7-19-21(17)26-13-12-25-19;1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h2-6,13,19,21,25H,7-12,14H2,1H3;2-6,14,19,21,25H,7-13H2,1H3;2*2-6,15,18H,7-14H2,1H3;1-5,12,18H,6-11,13-14H2;1-5,13,18H,6-12,14H2;1-7,18,20,24H,8-14H2;1-7,18H,8-15H2.

What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperazine;bis(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-nitro-2,3-dihydro-1H-inden-2-yl)piperazine;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol?

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperazine;bis(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-nitro-2,3-dihydro-1H-inden-2-yl)piperazine;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 2922.57 g/mol, XLogP of 20.53, 21 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine;1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-(5-fluoro-2,3-dihydro-1H-inden-2-yl)piperazine;bis(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-nitro-2,3-dihydro-1H-inden-2-yl)piperazine;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-methoxy-2,3-dihydro-1H-inden-1-ol;2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-6-methoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 162017558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).