dipotassium;tert-butyl 2-bromo-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;hydride;methane;oxido formate;1-propan-2-ylpiperidine

C86H136Br5K2N15O13 — CID 157274246

About dipotassium;tert-butyl 2-bromo-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;hydride;methane;oxido formate;1-propan-2-ylpiperidine

dipotassium;tert-butyl 2-bromo-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;hydride;methane;oxido formate;1-propan-2-ylpiperidine (PubChem CID 157274246) has the molecular formula C86H136Br5K2N15O13 and a molecular weight of 2065.84 g/mol. Its IUPAC name is dipotassium;tert-butyl 2-bromo-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;hydride;methane;oxido formate;1-propan-2-ylpiperidine.

Molecular Properties

• Compound Name: dipotassium;tert-butyl 2-bromo-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;hydride;methane;oxido formate;1-propan-2-ylpiperidine
• PubChem CID: 157274246
• Molecular Formula: C86H136Br5K2N15O13
• Molecular Weight: 2065.84 g/mol
• Exact Mass: 2059.56
• IUPAC Name: dipotassium;tert-butyl 2-bromo-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;hydride;methane;oxido formate;1-propan-2-ylpiperidine
• SMILES: C.C.CC(C)(C)OC(=O)c1cc(Br)nc(Br)c1.CC(C)N1CCCCC1.CC(C)N1CCN(c2cc(C(=O)O)cc(NC3CCC3)n2)CC1.CC(C)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(Br)n2)CC1.CC(C)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(NC3CCC3)n2)CC1.NC1CCC1.O=C(O)c1cc(Br)nc(Br)c1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C21H34N4O2.C17H26BrN3O2.C17H26N4O2.C10H11Br2NO2.C8H17N.C6H3Br2NO2.C4H9N.CH2O3.2CH4.2K.H/c1-15(2)24-9-11-25(12-10-24)19-14-16(20(26)27-21(3,4)5)13-18(23-19)22-17-7-6-8-17;1-12(2)20-6-8-21(9-7-20)15-11-13(10-14(18)19-15)16(22)23-17(3,4)5;1-12(2)20-6-8-21(9-7-20)16-11-13(17(22)23)10-15(19-16)18-14-4-3-5-14;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;1-8(2)9-6-4-3-5-7-9;7-4-1-3(6(10)11)2-5(8)9-4;5-4-2-1-3-4;2-1-4-3;;;;;/h13-15,17H,6-12H2,1-5H3,(H,22,23);10-12H,6-9H2,1-5H3;10-12,14H,3-9H2,1-2H3,(H,18,19)(H,22,23);4-5H,1-3H3;8H,3-7H2,1-2H3;1-2H,(H,10,11);4H,1-3,5H2;1,3H;2*1H4;;;/q;;;;;;;;;;2*+1;-1/p-1
• InChIKey: AAZKGHCRPBEILJ-UHFFFAOYSA-M
• XLogP: 11.21
• TPSA: 340.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2065.84
LogP ≤ 5	11.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;tert-butyl 2-bromo-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;hydride;methane;oxido formate;1-propan-2-ylpiperidine?

The IUPAC name of dipotassium;tert-butyl 2-bromo-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;hydride;methane;oxido formate;1-propan-2-ylpiperidine (CID 157274246) is dipotassium;tert-butyl 2-bromo-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;hydride;methane;oxido formate;1-propan-2-ylpiperidine.

What is the SMILES notation for dipotassium;tert-butyl 2-bromo-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;hydride;methane;oxido formate;1-propan-2-ylpiperidine?

The canonical SMILES for dipotassium;tert-butyl 2-bromo-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;hydride;methane;oxido formate;1-propan-2-ylpiperidine is C.C.CC(C)(C)OC(=O)c1cc(Br)nc(Br)c1.CC(C)N1CCCCC1.CC(C)N1CCN(c2cc(C(=O)O)cc(NC3CCC3)n2)CC1.CC(C)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(Br)n2)CC1.CC(C)N1CCN(c2cc(C(=O)OC(C)(C)C)cc(NC3CCC3)n2)CC1.NC1CCC1.O=C(O)c1cc(Br)nc(Br)c1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;tert-butyl 2-bromo-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;hydride;methane;oxido formate;1-propan-2-ylpiperidine?

The InChIKey is AAZKGHCRPBEILJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H34N4O2.C17H26BrN3O2.C17H26N4O2.C10H11Br2NO2.C8H17N.C6H3Br2NO2.C4H9N.CH2O3.2CH4.2K.H/c1-15(2)24-9-11-25(12-10-24)19-14-16(20(26)27-21(3,4)5)13-18(23-19)22-17-7-6-8-17;1-12(2)20-6-8-21(9-7-20)15-11-13(10-14(18)19-15)16(22)23-17(3,4)5;1-12(2)20-6-8-21(9-7-20)16-11-13(17(22)23)10-15(19-16)18-14-4-3-5-14;1-10(2,3)15-9(14)6-4-7(11)13-8(12)5-6;1-8(2)9-6-4-3-5-7-9;7-4-1-3(6(10)11)2-5(8)9-4;5-4-2-1-3-4;2-1-4-3;;;;;/h13-15,17H,6-12H2,1-5H3,(H,22,23);10-12H,6-9H2,1-5H3;10-12,14H,3-9H2,1-2H3,(H,18,19)(H,22,23);4-5H,1-3H3;8H,3-7H2,1-2H3;1-2H,(H,10,11);4H,1-3,5H2;1,3H;2*1H4;;;/q;;;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;tert-butyl 2-bromo-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;hydride;methane;oxido formate;1-propan-2-ylpiperidine?

dipotassium;tert-butyl 2-bromo-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;hydride;methane;oxido formate;1-propan-2-ylpiperidine has a molecular weight of 2065.84 g/mol, XLogP of 11.21, 17 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;tert-butyl 2-bromo-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylate;tert-butyl 2,6-dibromopyridine-4-carboxylate;cyclobutanamine;2-(cyclobutylamino)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboxylic acid;2,6-dibromopyridine-4-carboxylic acid;hydride;methane;oxido formate;1-propan-2-ylpiperidine is sourced from PubChem (CID 157274246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).