1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;4-(ethoxymethyl)-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;4-ethyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid

C56H107N7O15 — CID 158346819

About 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;4-(ethoxymethyl)-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;4-ethyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid

1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;4-(ethoxymethyl)-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;4-ethyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid (PubChem CID 158346819) has the molecular formula C56H107N7O15 and a molecular weight of 1118.51 g/mol. Its IUPAC name is 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;4-(ethoxymethyl)-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;4-ethyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid.

Molecular Properties

• Compound Name: 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;4-(ethoxymethyl)-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;4-ethyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid
• PubChem CID: 158346819
• Molecular Formula: C56H107N7O15
• Molecular Weight: 1118.51 g/mol
• Exact Mass: 1117.78
• IUPAC Name: 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;4-(ethoxymethyl)-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;4-ethyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid
• SMILES: CC1(C)CC(=C(CC(=O)O)C(=O)O)CC(C)(C)N1O.CC1(C)CC(O)(C#N)CC(C)(C)N1O.CC1(C)CC(O)(C(N)=O)CC(C)(C)N1O.CCC1(O)CC(C)(C)N(O)C(C)(C)C1.CCOCC1(O)CC(C)(C)N(O)C(C)(C)C1
• InChI: InChI=1S/C13H21NO5.C12H25NO3.C11H23NO2.C10H20N2O3.C10H18N2O2/c1-12(2)6-8(7-13(3,4)14(12)19)9(11(17)18)5-10(15)16;1-6-16-9-12(14)7-10(2,3)13(15)11(4,5)8-12;1-6-11(13)7-9(2,3)12(14)10(4,5)8-11;1-8(2)5-10(14,7(11)13)6-9(3,4)12(8)15;1-8(2)5-10(13,7-11)6-9(3,4)12(8)14/h19H,5-7H2,1-4H3,(H,15,16)(H,17,18);14-15H,6-9H2,1-5H3;13-14H,6-8H2,1-5H3;14-15H,5-6H2,1-4H3,(H2,11,13);13-14H,5-6H2,1-4H3
• InChIKey: GRVGTNNLKGPFOV-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 348.98 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 19
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1118.51
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanohydrins', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;4-(ethoxymethyl)-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;4-ethyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid?

The IUPAC name of 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;4-(ethoxymethyl)-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;4-ethyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid (CID 158346819) is 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;4-(ethoxymethyl)-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;4-ethyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid.

What is the SMILES notation for 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;4-(ethoxymethyl)-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;4-ethyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid?

The canonical SMILES for 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;4-(ethoxymethyl)-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;4-ethyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid is CC1(C)CC(=C(CC(=O)O)C(=O)O)CC(C)(C)N1O.CC1(C)CC(O)(C#N)CC(C)(C)N1O.CC1(C)CC(O)(C(N)=O)CC(C)(C)N1O.CCC1(O)CC(C)(C)N(O)C(C)(C)C1.CCOCC1(O)CC(C)(C)N(O)C(C)(C)C1.

What is the InChIKey of 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;4-(ethoxymethyl)-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;4-ethyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid?

The InChIKey is GRVGTNNLKGPFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5.C12H25NO3.C11H23NO2.C10H20N2O3.C10H18N2O2/c1-12(2)6-8(7-13(3,4)14(12)19)9(11(17)18)5-10(15)16;1-6-16-9-12(14)7-10(2,3)13(15)11(4,5)8-12;1-6-11(13)7-9(2,3)12(14)10(4,5)8-11;1-8(2)5-10(14,7(11)13)6-9(3,4)12(8)15;1-8(2)5-10(13,7-11)6-9(3,4)12(8)14/h19H,5-7H2,1-4H3,(H,15,16)(H,17,18);14-15H,6-9H2,1-5H3;13-14H,6-8H2,1-5H3;14-15H,5-6H2,1-4H3,(H2,11,13);13-14H,5-6H2,1-4H3.

What are the key properties of 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;4-(ethoxymethyl)-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;4-ethyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid?

1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;4-(ethoxymethyl)-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;4-ethyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid has a molecular weight of 1118.51 g/mol, XLogP of 7.38, 8 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile;1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carboxamide;4-(ethoxymethyl)-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;4-ethyl-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol;2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid is sourced from PubChem (CID 158346819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).