sodium;2,6-dihydroxybenzaldehyde;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-hexoxy-6-hydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;methane;2-(2-methoxyethyl)pyridine-3-carboxylic acid;[2-(2-methoxyethyl)-3-pyridinyl]methanone;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;piperidin-2-ylmethanol

C98H141BClN8NaO24-2 — CID 157115719

About sodium;2,6-dihydroxybenzaldehyde;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-hexoxy-6-hydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;methane;2-(2-methoxyethyl)pyridine-3-carboxylic acid;[2-(2-methoxyethyl)-3-pyridinyl]methanone;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;piperidin-2-ylmethanol

sodium;2,6-dihydroxybenzaldehyde;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-hexoxy-6-hydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;methane;2-(2-methoxyethyl)pyridine-3-carboxylic acid;[2-(2-methoxyethyl)-3-pyridinyl]methanone;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;piperidin-2-ylmethanol (PubChem CID 157115719) has the molecular formula C98H141BClN8NaO24-2 and a molecular weight of 1884.49 g/mol. Its IUPAC name is sodium;2,6-dihydroxybenzaldehyde;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-hexoxy-6-hydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;methane;2-(2-methoxyethyl)pyridine-3-carboxylic acid;[2-(2-methoxyethyl)-3-pyridinyl]methanone;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;piperidin-2-ylmethanol.

Molecular Properties

• Compound Name: sodium;2,6-dihydroxybenzaldehyde;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-hexoxy-6-hydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;methane;2-(2-methoxyethyl)pyridine-3-carboxylic acid;[2-(2-methoxyethyl)-3-pyridinyl]methanone;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;piperidin-2-ylmethanol
• PubChem CID: 157115719
• Molecular Formula: C98H141BClN8NaO24-2
• Molecular Weight: 1884.49 g/mol
• Exact Mass: 1882.97
• IUPAC Name: sodium;2,6-dihydroxybenzaldehyde;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-hexoxy-6-hydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;methane;2-(2-methoxyethyl)pyridine-3-carboxylic acid;[2-(2-methoxyethyl)-3-pyridinyl]methanone;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;piperidin-2-ylmethanol
• SMILES: C.C.C.C.C.C=CB1OC(C)(C)C(C)(C)O1.C=Cc1ncccc1C(=O)OC.COC(=O)c1cccnc1Cl.COCCc1ncccc1C(=O)N1CCCC[C@H]1CO.COCCc1ncccc1C(=O)O.COCCc1ncccc1C(=O)OC.COCCc1ncccc1[C-]=O.O=Cc1c(O)cccc1O.OCC1CCCCN1.[CH2-]CCC[CH-]COc1cccc(O)c1C=O.[Na+]
• InChI: InChI=1S/C15H22N2O3.C13H16O3.C10H13NO3.C9H11NO3.C9H10NO2.C9H9NO2.C8H15BO2.C7H6ClNO2.C7H6O3.C6H13NO.5CH4.Na/c1-20-10-7-14-13(6-4-8-16-14)15(19)17-9-3-2-5-12(17)11-18;1-2-3-4-5-9-16-13-8-6-7-12(15)11(13)10-14;1-13-7-5-9-8(10(12)14-2)4-3-6-11-9;1-13-6-4-8-7(9(11)12)3-2-5-10-8;1-12-6-4-9-8(7-11)3-2-5-10-9;1-3-8-7(9(11)12-2)5-4-6-10-8;1-6-9-10-7(2,3)8(4,5)11-9;1-11-7(10)5-3-2-4-9-6(5)8;8-4-5-6(9)2-1-3-7(5)10;8-5-6-3-1-2-4-7-6;;;;;;/h4,6,8,12,18H,2-3,5,7,9-11H2,1H3;5-8,10,15H,1-4,9H2;3-4,6H,5,7H2,1-2H3;2-3,5H,4,6H2,1H3,(H,11,12);2-3,5H,4,6H2,1H3;3-6H,1H2,2H3;6H,1H2,2-5H3;2-4H,1H3;1-4,9-10H;6-8H,1-5H2;5*1H4;/q;-2;;;-1;;;;;;;;;;;+1/t12-;;;;;;;;;;;;;;;/m0.............../s1
• InChIKey: GMCLNIRFISGBCW-BNNAPVDZSA-N
• XLogP: 12.86
• TPSA: 442.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1884.49
LogP ≤ 5	12.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2,6-dihydroxybenzaldehyde;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-hexoxy-6-hydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;methane;2-(2-methoxyethyl)pyridine-3-carboxylic acid;[2-(2-methoxyethyl)-3-pyridinyl]methanone;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;piperidin-2-ylmethanol?

The IUPAC name of sodium;2,6-dihydroxybenzaldehyde;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-hexoxy-6-hydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;methane;2-(2-methoxyethyl)pyridine-3-carboxylic acid;[2-(2-methoxyethyl)-3-pyridinyl]methanone;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;piperidin-2-ylmethanol (CID 157115719) is sodium;2,6-dihydroxybenzaldehyde;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-hexoxy-6-hydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;methane;2-(2-methoxyethyl)pyridine-3-carboxylic acid;[2-(2-methoxyethyl)-3-pyridinyl]methanone;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;piperidin-2-ylmethanol.

What is the SMILES notation for sodium;2,6-dihydroxybenzaldehyde;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-hexoxy-6-hydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;methane;2-(2-methoxyethyl)pyridine-3-carboxylic acid;[2-(2-methoxyethyl)-3-pyridinyl]methanone;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;piperidin-2-ylmethanol?

The canonical SMILES for sodium;2,6-dihydroxybenzaldehyde;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-hexoxy-6-hydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;methane;2-(2-methoxyethyl)pyridine-3-carboxylic acid;[2-(2-methoxyethyl)-3-pyridinyl]methanone;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;piperidin-2-ylmethanol is C.C.C.C.C.C=CB1OC(C)(C)C(C)(C)O1.C=Cc1ncccc1C(=O)OC.COC(=O)c1cccnc1Cl.COCCc1ncccc1C(=O)N1CCCC[C@H]1CO.COCCc1ncccc1C(=O)O.COCCc1ncccc1C(=O)OC.COCCc1ncccc1[C-]=O.O=Cc1c(O)cccc1O.OCC1CCCCN1.[CH2-]CCC[CH-]COc1cccc(O)c1C=O.[Na+].

What is the InChIKey of sodium;2,6-dihydroxybenzaldehyde;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-hexoxy-6-hydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;methane;2-(2-methoxyethyl)pyridine-3-carboxylic acid;[2-(2-methoxyethyl)-3-pyridinyl]methanone;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;piperidin-2-ylmethanol?

The InChIKey is GMCLNIRFISGBCW-BNNAPVDZSA-N. The full InChI is InChI=1S/C15H22N2O3.C13H16O3.C10H13NO3.C9H11NO3.C9H10NO2.C9H9NO2.C8H15BO2.C7H6ClNO2.C7H6O3.C6H13NO.5CH4.Na/c1-20-10-7-14-13(6-4-8-16-14)15(19)17-9-3-2-5-12(17)11-18;1-2-3-4-5-9-16-13-8-6-7-12(15)11(13)10-14;1-13-7-5-9-8(10(12)14-2)4-3-6-11-9;1-13-6-4-8-7(9(11)12)3-2-5-10-8;1-12-6-4-9-8(7-11)3-2-5-10-9;1-3-8-7(9(11)12-2)5-4-6-10-8;1-6-9-10-7(2,3)8(4,5)11-9;1-11-7(10)5-3-2-4-9-6(5)8;8-4-5-6(9)2-1-3-7(5)10;8-5-6-3-1-2-4-7-6;;;;;;/h4,6,8,12,18H,2-3,5,7,9-11H2,1H3;5-8,10,15H,1-4,9H2;3-4,6H,5,7H2,1-2H3;2-3,5H,4,6H2,1H3,(H,11,12);2-3,5H,4,6H2,1H3;3-6H,1H2,2H3;6H,1H2,2-5H3;2-4H,1H3;1-4,9-10H;6-8H,1-5H2;5*1H4;/q;-2;;;-1;;;;;;;;;;;+1/t12-;;;;;;;;;;;;;;;/m0.............../s1.

What are the key properties of sodium;2,6-dihydroxybenzaldehyde;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-hexoxy-6-hydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;methane;2-(2-methoxyethyl)pyridine-3-carboxylic acid;[2-(2-methoxyethyl)-3-pyridinyl]methanone;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;piperidin-2-ylmethanol?

sodium;2,6-dihydroxybenzaldehyde;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-hexoxy-6-hydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;methane;2-(2-methoxyethyl)pyridine-3-carboxylic acid;[2-(2-methoxyethyl)-3-pyridinyl]methanone;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;piperidin-2-ylmethanol has a molecular weight of 1884.49 g/mol, XLogP of 12.86, 30 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2,6-dihydroxybenzaldehyde;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-hexoxy-6-hydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;methane;2-(2-methoxyethyl)pyridine-3-carboxylic acid;[2-(2-methoxyethyl)-3-pyridinyl]methanone;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;piperidin-2-ylmethanol is sourced from PubChem (CID 157115719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).