dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;2-methoxy-3-piperidin-4-ylpyridine;oxido formate;hydrochloride

C51H79BClIK2N6O12 — CID 158644865

About dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;2-methoxy-3-piperidin-4-ylpyridine;oxido formate;hydrochloride

dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;2-methoxy-3-piperidin-4-ylpyridine;oxido formate;hydrochloride (PubChem CID 158644865) has the molecular formula C51H79BClIK2N6O12 and a molecular weight of 1219.59 g/mol. Its IUPAC name is dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;2-methoxy-3-piperidin-4-ylpyridine;oxido formate;hydrochloride.

Molecular Properties

• Compound Name: dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;2-methoxy-3-piperidin-4-ylpyridine;oxido formate;hydrochloride
• PubChem CID: 158644865
• Molecular Formula: C51H79BClIK2N6O12
• Molecular Weight: 1219.59 g/mol
• Exact Mass: 1218.39
• IUPAC Name: dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;2-methoxy-3-piperidin-4-ylpyridine;oxido formate;hydrochloride
• SMILES: C.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.COc1ncccc1C1=CCN(C(=O)OC(C)(C)C)CC1.COc1ncccc1C1CCNCC1.COc1ncccc1I.Cl.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C16H28BNO4.C16H22N2O3.C11H16N2O.C6H6INO.CH2O3.CH4.ClH.2K.H/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-16(2,3)21-15(19)18-10-7-12(8-11-18)13-6-5-9-17-14(13)20-4;1-14-11-10(3-2-6-13-11)9-4-7-12-8-5-9;1-9-6-5(7)3-2-4-8-6;2-1-4-3;;;;;/h8H,9-11H2,1-7H3;5-7,9H,8,10-11H2,1-4H3;2-3,6,9,12H,4-5,7-8H2,1H3;2-4H,1H3;1,3H;1H4;1H;;;/q;;;;;;;2*+1;-1/p-1
• InChIKey: QEWJXCNITJXOEF-UHFFFAOYSA-M
• XLogP: 3.16
• TPSA: 205.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1219.59
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;2-methoxy-3-piperidin-4-ylpyridine;oxido formate;hydrochloride?

The IUPAC name of dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;2-methoxy-3-piperidin-4-ylpyridine;oxido formate;hydrochloride (CID 158644865) is dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;2-methoxy-3-piperidin-4-ylpyridine;oxido formate;hydrochloride.

What is the SMILES notation for dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;2-methoxy-3-piperidin-4-ylpyridine;oxido formate;hydrochloride?

The canonical SMILES for dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;2-methoxy-3-piperidin-4-ylpyridine;oxido formate;hydrochloride is C.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.COc1ncccc1C1=CCN(C(=O)OC(C)(C)C)CC1.COc1ncccc1C1CCNCC1.COc1ncccc1I.Cl.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;2-methoxy-3-piperidin-4-ylpyridine;oxido formate;hydrochloride?

The InChIKey is QEWJXCNITJXOEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H28BNO4.C16H22N2O3.C11H16N2O.C6H6INO.CH2O3.CH4.ClH.2K.H/c1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-16(2,3)21-15(19)18-10-7-12(8-11-18)13-6-5-9-17-14(13)20-4;1-14-11-10(3-2-6-13-11)9-4-7-12-8-5-9;1-9-6-5(7)3-2-4-8-6;2-1-4-3;;;;;/h8H,9-11H2,1-7H3;5-7,9H,8,10-11H2,1-4H3;2-3,6,9,12H,4-5,7-8H2,1H3;2-4H,1H3;1,3H;1H4;1H;;;/q;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;2-methoxy-3-piperidin-4-ylpyridine;oxido formate;hydrochloride?

dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;2-methoxy-3-piperidin-4-ylpyridine;oxido formate;hydrochloride has a molecular weight of 1219.59 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;tert-butyl 4-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;hydride;3-iodo-2-methoxypyridine;methane;2-methoxy-3-piperidin-4-ylpyridine;oxido formate;hydrochloride is sourced from PubChem (CID 158644865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).