4-bromopiperidine;tert-butyl formate;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)pyrazin-2-yl]piperidine-1-carboxylate;4-(6-chloropyrazin-2-yl)-9H-indeno[2,1-b]pyridine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine;4-iodo-9H-indeno[2,1-b]pyridine;4-(6-piperidin-4-ylpyrazin-2-yl)-9H-indeno[2,1-b]pyridine;hydrochloride

C95H101BBrCl3IN15O6 — CID 158087978

About 4-bromopiperidine;tert-butyl formate;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)pyrazin-2-yl]piperidine-1-carboxylate;4-(6-chloropyrazin-2-yl)-9H-indeno[2,1-b]pyridine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine;4-iodo-9H-indeno[2,1-b]pyridine;4-(6-piperidin-4-ylpyrazin-2-yl)-9H-indeno[2,1-b]pyridine;hydrochloride

4-bromopiperidine;tert-butyl formate;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)pyrazin-2-yl]piperidine-1-carboxylate;4-(6-chloropyrazin-2-yl)-9H-indeno[2,1-b]pyridine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine;4-iodo-9H-indeno[2,1-b]pyridine;4-(6-piperidin-4-ylpyrazin-2-yl)-9H-indeno[2,1-b]pyridine;hydrochloride (PubChem CID 158087978) has the molecular formula C95H101BBrCl3IN15O6 and a molecular weight of 1872.93 g/mol. Its IUPAC name is 4-bromopiperidine;tert-butyl formate;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)pyrazin-2-yl]piperidine-1-carboxylate;4-(6-chloropyrazin-2-yl)-9H-indeno[2,1-b]pyridine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine;4-iodo-9H-indeno[2,1-b]pyridine;4-(6-piperidin-4-ylpyrazin-2-yl)-9H-indeno[2,1-b]pyridine;hydrochloride.

Molecular Properties

• Compound Name: 4-bromopiperidine;tert-butyl formate;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)pyrazin-2-yl]piperidine-1-carboxylate;4-(6-chloropyrazin-2-yl)-9H-indeno[2,1-b]pyridine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine;4-iodo-9H-indeno[2,1-b]pyridine;4-(6-piperidin-4-ylpyrazin-2-yl)-9H-indeno[2,1-b]pyridine;hydrochloride
• PubChem CID: 158087978
• Molecular Formula: C95H101BBrCl3IN15O6
• Molecular Weight: 1872.93 g/mol
• Exact Mass: 1869.54
• IUPAC Name: 4-bromopiperidine;tert-butyl formate;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)pyrazin-2-yl]piperidine-1-carboxylate;4-(6-chloropyrazin-2-yl)-9H-indeno[2,1-b]pyridine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine;4-iodo-9H-indeno[2,1-b]pyridine;4-(6-piperidin-4-ylpyrazin-2-yl)-9H-indeno[2,1-b]pyridine;hydrochloride
• SMILES: BrC1CCNCC1.CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccnc4c3-c3ccccc3C4)n2)CC1.CC(C)(C)OC=O.CC1(C)OB(c2cncc(Cl)n2)OC1(C)C.Cl.Clc1cncc(-c2ccnc3c2-c2ccccc2C3)n1.Ic1ccnc2c1-c1ccccc1C2.c1ccc2c(c1)Cc1nccc(-c3cncc(C4CCNCC4)n3)c1-2
• InChI: InChI=1S/C26H28N4O2.C21H20N4.C16H10ClN3.C12H8IN.C10H14BClN2O2.C5H10BrN.C5H10O2.ClH/c1-26(2,3)32-25(31)30-12-9-17(10-13-30)22-15-27-16-23(29-22)20-8-11-28-21-14-18-6-4-5-7-19(18)24(20)21;1-2-4-16-15(3-1)11-18-21(16)17(7-10-24-18)20-13-23-12-19(25-20)14-5-8-22-9-6-14;17-15-9-18-8-14(20-15)12-5-6-19-13-7-10-3-1-2-4-11(10)16(12)13;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;1-9(2)10(3,4)16-11(15-9)7-5-13-6-8(12)14-7;6-5-1-3-7-4-2-5;1-5(2,3)7-4-6;/h4-8,11,15-17H,9-10,12-14H2,1-3H3;1-4,7,10,12-14,22H,5-6,8-9,11H2;1-6,8-9H,7H2;1-6H,7H2;5-6H,1-4H3;5,7H,1-4H2;4H,1-3H3;1H
• InChIKey: SGNCKDPSVSGMDM-UHFFFAOYSA-N
• XLogP: 19.76
• TPSA: 253.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1872.93
LogP ≤ 5	19.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromopiperidine;tert-butyl formate;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)pyrazin-2-yl]piperidine-1-carboxylate;4-(6-chloropyrazin-2-yl)-9H-indeno[2,1-b]pyridine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine;4-iodo-9H-indeno[2,1-b]pyridine;4-(6-piperidin-4-ylpyrazin-2-yl)-9H-indeno[2,1-b]pyridine;hydrochloride?

The IUPAC name of 4-bromopiperidine;tert-butyl formate;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)pyrazin-2-yl]piperidine-1-carboxylate;4-(6-chloropyrazin-2-yl)-9H-indeno[2,1-b]pyridine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine;4-iodo-9H-indeno[2,1-b]pyridine;4-(6-piperidin-4-ylpyrazin-2-yl)-9H-indeno[2,1-b]pyridine;hydrochloride (CID 158087978) is 4-bromopiperidine;tert-butyl formate;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)pyrazin-2-yl]piperidine-1-carboxylate;4-(6-chloropyrazin-2-yl)-9H-indeno[2,1-b]pyridine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine;4-iodo-9H-indeno[2,1-b]pyridine;4-(6-piperidin-4-ylpyrazin-2-yl)-9H-indeno[2,1-b]pyridine;hydrochloride.

What is the SMILES notation for 4-bromopiperidine;tert-butyl formate;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)pyrazin-2-yl]piperidine-1-carboxylate;4-(6-chloropyrazin-2-yl)-9H-indeno[2,1-b]pyridine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine;4-iodo-9H-indeno[2,1-b]pyridine;4-(6-piperidin-4-ylpyrazin-2-yl)-9H-indeno[2,1-b]pyridine;hydrochloride?

The canonical SMILES for 4-bromopiperidine;tert-butyl formate;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)pyrazin-2-yl]piperidine-1-carboxylate;4-(6-chloropyrazin-2-yl)-9H-indeno[2,1-b]pyridine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine;4-iodo-9H-indeno[2,1-b]pyridine;4-(6-piperidin-4-ylpyrazin-2-yl)-9H-indeno[2,1-b]pyridine;hydrochloride is BrC1CCNCC1.CC(C)(C)OC(=O)N1CCC(c2cncc(-c3ccnc4c3-c3ccccc3C4)n2)CC1.CC(C)(C)OC=O.CC1(C)OB(c2cncc(Cl)n2)OC1(C)C.Cl.Clc1cncc(-c2ccnc3c2-c2ccccc2C3)n1.Ic1ccnc2c1-c1ccccc1C2.c1ccc2c(c1)Cc1nccc(-c3cncc(C4CCNCC4)n3)c1-2.

What is the InChIKey of 4-bromopiperidine;tert-butyl formate;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)pyrazin-2-yl]piperidine-1-carboxylate;4-(6-chloropyrazin-2-yl)-9H-indeno[2,1-b]pyridine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine;4-iodo-9H-indeno[2,1-b]pyridine;4-(6-piperidin-4-ylpyrazin-2-yl)-9H-indeno[2,1-b]pyridine;hydrochloride?

The InChIKey is SGNCKDPSVSGMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2.C21H20N4.C16H10ClN3.C12H8IN.C10H14BClN2O2.C5H10BrN.C5H10O2.ClH/c1-26(2,3)32-25(31)30-12-9-17(10-13-30)22-15-27-16-23(29-22)20-8-11-28-21-14-18-6-4-5-7-19(18)24(20)21;1-2-4-16-15(3-1)11-18-21(16)17(7-10-24-18)20-13-23-12-19(25-20)14-5-8-22-9-6-14;17-15-9-18-8-14(20-15)12-5-6-19-13-7-10-3-1-2-4-11(10)16(12)13;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;1-9(2)10(3,4)16-11(15-9)7-5-13-6-8(12)14-7;6-5-1-3-7-4-2-5;1-5(2,3)7-4-6;/h4-8,11,15-17H,9-10,12-14H2,1-3H3;1-4,7,10,12-14,22H,5-6,8-9,11H2;1-6,8-9H,7H2;1-6H,7H2;5-6H,1-4H3;5,7H,1-4H2;4H,1-3H3;1H.

What are the key properties of 4-bromopiperidine;tert-butyl formate;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)pyrazin-2-yl]piperidine-1-carboxylate;4-(6-chloropyrazin-2-yl)-9H-indeno[2,1-b]pyridine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine;4-iodo-9H-indeno[2,1-b]pyridine;4-(6-piperidin-4-ylpyrazin-2-yl)-9H-indeno[2,1-b]pyridine;hydrochloride?

4-bromopiperidine;tert-butyl formate;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)pyrazin-2-yl]piperidine-1-carboxylate;4-(6-chloropyrazin-2-yl)-9H-indeno[2,1-b]pyridine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine;4-iodo-9H-indeno[2,1-b]pyridine;4-(6-piperidin-4-ylpyrazin-2-yl)-9H-indeno[2,1-b]pyridine;hydrochloride has a molecular weight of 1872.93 g/mol, XLogP of 19.76, 7 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromopiperidine;tert-butyl formate;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)pyrazin-2-yl]piperidine-1-carboxylate;4-(6-chloropyrazin-2-yl)-9H-indeno[2,1-b]pyridine;2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine;4-iodo-9H-indeno[2,1-b]pyridine;4-(6-piperidin-4-ylpyrazin-2-yl)-9H-indeno[2,1-b]pyridine;hydrochloride is sourced from PubChem (CID 158087978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).