4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]piperazine-1-carboxylate;1,3-dibromobenzene;bis([3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid);4-(3-piperazin-1-ylphenyl)-9H-indeno[2,1-b]pyridine;piperidine

C117H140B2Br4N14O12 — CID 160723461

About 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]piperazine-1-carboxylate;1,3-dibromobenzene;bis([3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid);4-(3-piperazin-1-ylphenyl)-9H-indeno[2,1-b]pyridine;piperidine

4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]piperazine-1-carboxylate;1,3-dibromobenzene;bis([3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid);4-(3-piperazin-1-ylphenyl)-9H-indeno[2,1-b]pyridine;piperidine (PubChem CID 160723461) has the molecular formula C117H140B2Br4N14O12 and a molecular weight of 2275.73 g/mol. Its IUPAC name is 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]piperazine-1-carboxylate;1,3-dibromobenzene;bis([3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid);4-(3-piperazin-1-ylphenyl)-9H-indeno[2,1-b]pyridine;piperidine.

Molecular Properties

• Compound Name: 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]piperazine-1-carboxylate;1,3-dibromobenzene;bis([3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid);4-(3-piperazin-1-ylphenyl)-9H-indeno[2,1-b]pyridine;piperidine
• PubChem CID: 160723461
• Molecular Formula: C117H140B2Br4N14O12
• Molecular Weight: 2275.73 g/mol
• Exact Mass: 2270.77
• IUPAC Name: 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]piperazine-1-carboxylate;1,3-dibromobenzene;bis([3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid);4-(3-piperazin-1-ylphenyl)-9H-indeno[2,1-b]pyridine;piperidine
• SMILES: Brc1cccc(Br)c1.Brc1ccnc2c1-c1ccccc1C2.C1CCNCC1.CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc4c3-c3ccccc3C4)c2)CC1.CC(C)(C)OC(=O)N1CCN(c2cccc(B(O)O)c2)CC1.CC(C)(C)OC(=O)N1CCN(c2cccc(B(O)O)c2)CC1.CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2)CC1.c1cc(-c2ccnc3c2-c2ccccc2C3)cc(N2CCNCC2)c1
• InChI: InChI=1S/C27H29N3O2.C22H21N3.2C15H23BN2O4.C15H21BrN2O2.C12H8BrN.C6H4Br2.C5H11N/c1-27(2,3)32-26(31)30-15-13-29(14-16-30)21-9-6-8-19(17-21)23-11-12-28-24-18-20-7-4-5-10-22(20)25(23)24;1-2-7-19-17(4-1)15-21-22(19)20(8-9-24-21)16-5-3-6-18(14-16)25-12-10-23-11-13-25;2*1-15(2,3)22-14(19)18-9-7-17(8-10-18)13-6-4-5-12(11-13)16(20)21;1-15(2,3)20-14(19)18-9-7-17(8-10-18)13-6-4-5-12(16)11-13;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1/h4-12,17H,13-16,18H2,1-3H3;1-9,14,23H,10-13,15H2;2*4-6,11,20-21H,7-10H2,1-3H3;4-6,11H,7-10H2,1-3H3;1-6H,7H2;1-4H;6H,1-5H2
• InChIKey: RTKCADADNHYLOZ-UHFFFAOYSA-N
• XLogP: 20.85
• TPSA: 278.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2275.73
LogP ≤ 5	20.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]piperazine-1-carboxylate;1,3-dibromobenzene;bis([3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid);4-(3-piperazin-1-ylphenyl)-9H-indeno[2,1-b]pyridine;piperidine?

The IUPAC name of 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]piperazine-1-carboxylate;1,3-dibromobenzene;bis([3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid);4-(3-piperazin-1-ylphenyl)-9H-indeno[2,1-b]pyridine;piperidine (CID 160723461) is 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]piperazine-1-carboxylate;1,3-dibromobenzene;bis([3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid);4-(3-piperazin-1-ylphenyl)-9H-indeno[2,1-b]pyridine;piperidine.

What is the SMILES notation for 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]piperazine-1-carboxylate;1,3-dibromobenzene;bis([3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid);4-(3-piperazin-1-ylphenyl)-9H-indeno[2,1-b]pyridine;piperidine?

The canonical SMILES for 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]piperazine-1-carboxylate;1,3-dibromobenzene;bis([3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid);4-(3-piperazin-1-ylphenyl)-9H-indeno[2,1-b]pyridine;piperidine is Brc1cccc(Br)c1.Brc1ccnc2c1-c1ccccc1C2.C1CCNCC1.CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc4c3-c3ccccc3C4)c2)CC1.CC(C)(C)OC(=O)N1CCN(c2cccc(B(O)O)c2)CC1.CC(C)(C)OC(=O)N1CCN(c2cccc(B(O)O)c2)CC1.CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2)CC1.c1cc(-c2ccnc3c2-c2ccccc2C3)cc(N2CCNCC2)c1.

What is the InChIKey of 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]piperazine-1-carboxylate;1,3-dibromobenzene;bis([3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid);4-(3-piperazin-1-ylphenyl)-9H-indeno[2,1-b]pyridine;piperidine?

The InChIKey is RTKCADADNHYLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2.C22H21N3.2C15H23BN2O4.C15H21BrN2O2.C12H8BrN.C6H4Br2.C5H11N/c1-27(2,3)32-26(31)30-15-13-29(14-16-30)21-9-6-8-19(17-21)23-11-12-28-24-18-20-7-4-5-10-22(20)25(23)24;1-2-7-19-17(4-1)15-21-22(19)20(8-9-24-21)16-5-3-6-18(14-16)25-12-10-23-11-13-25;2*1-15(2,3)22-14(19)18-9-7-17(8-10-18)13-6-4-5-12(11-13)16(20)21;1-15(2,3)20-14(19)18-9-7-17(8-10-18)13-6-4-5-12(16)11-13;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1/h4-12,17H,13-16,18H2,1-3H3;1-9,14,23H,10-13,15H2;2*4-6,11,20-21H,7-10H2,1-3H3;4-6,11H,7-10H2,1-3H3;1-6H,7H2;1-4H;6H,1-5H2.

What are the key properties of 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]piperazine-1-carboxylate;1,3-dibromobenzene;bis([3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid);4-(3-piperazin-1-ylphenyl)-9H-indeno[2,1-b]pyridine;piperidine?

4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]piperazine-1-carboxylate;1,3-dibromobenzene;bis([3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid);4-(3-piperazin-1-ylphenyl)-9H-indeno[2,1-b]pyridine;piperidine has a molecular weight of 2275.73 g/mol, XLogP of 20.85, 9 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-(3-bromophenyl)piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)phenyl]piperazine-1-carboxylate;1,3-dibromobenzene;bis([3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid);4-(3-piperazin-1-ylphenyl)-9H-indeno[2,1-b]pyridine;piperidine is sourced from PubChem (CID 160723461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).