[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one;[(2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;4-hydroxy-5-methoxy-2-nitrobenzaldehyde;bis(5-methoxy-4-methyl-2-nitrobenzaldehyde);5-methoxy-4-methyl-2-nitrobenzoic acid;methyl (2S,4R)-4-hydroxy-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate

C130H171F3N14O51SSi3 — CID 165100435

About [(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one;[(2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;4-hydroxy-5-methoxy-2-nitrobenzaldehyde;bis(5-methoxy-4-methyl-2-nitrobenzaldehyde);5-methoxy-4-methyl-2-nitrobenzoic acid;methyl (2S,4R)-4-hydroxy-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate

[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one;[(2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;4-hydroxy-5-methoxy-2-nitrobenzaldehyde;bis(5-methoxy-4-methyl-2-nitrobenzaldehyde);5-methoxy-4-methyl-2-nitrobenzoic acid;methyl (2S,4R)-4-hydroxy-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate (PubChem CID 165100435) has the molecular formula C130H171F3N14O51SSi3 and a molecular weight of 2919.16 g/mol. Its IUPAC name is [(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one;[(2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;4-hydroxy-5-methoxy-2-nitrobenzaldehyde;bis(5-methoxy-4-methyl-2-nitrobenzaldehyde);5-methoxy-4-methyl-2-nitrobenzoic acid;methyl (2S,4R)-4-hydroxy-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate.

Molecular Properties

• Compound Name: [(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one;[(2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;4-hydroxy-5-methoxy-2-nitrobenzaldehyde;bis(5-methoxy-4-methyl-2-nitrobenzaldehyde);5-methoxy-4-methyl-2-nitrobenzoic acid;methyl (2S,4R)-4-hydroxy-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate
• PubChem CID: 165100435
• Molecular Formula: C130H171F3N14O51SSi3
• Molecular Weight: 2919.16 g/mol
• Exact Mass: 2917.02
• IUPAC Name: [(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one;[(2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;4-hydroxy-5-methoxy-2-nitrobenzaldehyde;bis(5-methoxy-4-methyl-2-nitrobenzaldehyde);5-methoxy-4-methyl-2-nitrobenzoic acid;methyl (2S,4R)-4-hydroxy-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate
• SMILES: COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1cc(OC)c(C)cc1[N+](=O)[O-].COc1cc(C(=O)N2CC=C(OS(=O)(=O)C(F)(F)F)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.COc1cc(C(=O)N2CCC(=O)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.COc1cc(C(=O)N2CC[C@@H](O)C[C@H]2CO)c([N+](=O)[O-])cc1C.COc1cc(C(=O)N2CC[C@@H](O)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.COc1cc(C(=O)O)c([N+](=O)[O-])cc1C.COc1cc(C=O)c([N+](=O)[O-])cc1C.COc1cc(C=O)c([N+](=O)[O-])cc1C.COc1cc(C=O)c([N+](=O)[O-])cc1O
• InChI: InChI=1S/C22H31F3N2O8SSi.C21H34N2O6Si.C21H32N2O6Si.C16H20N2O7.C15H20N2O6.C9H9NO5.2C9H9NO4.C8H7NO5/c1-14-10-18(27(29)30)17(12-19(14)33-5)20(28)26-9-8-16(35-36(31,32)22(23,24)25)11-15(26)13-34-37(6,7)21(2,3)4;2*1-14-10-18(23(26)27)17(12-19(14)28-5)20(25)22-9-8-16(24)11-15(22)13-29-30(6,7)21(2,3)4;1-9-6-12(18(22)23)11(8-14(9)24-2)15(20)17-5-4-10(19)7-13(17)16(21)25-3;1-9-5-13(17(21)22)12(7-14(9)23-2)15(20)16-4-3-11(19)6-10(16)8-18;1-5-3-7(10(13)14)6(9(11)12)4-8(5)15-2;2*1-6-3-8(10(12)13)7(5-11)4-9(6)14-2;1-14-8-2-5(4-10)6(9(12)13)3-7(8)11/h8,10,12,15H,9,11,13H2,1-7H3;10,12,15-16,24H,8-9,11,13H2,1-7H3;10,12,15H,8-9,11,13H2,1-7H3;6,8,10,13,19H,4-5,7H2,1-3H3;5,7,10-11,18-19H,3-4,6,8H2,1-2H3;3-4H,1-2H3,(H,11,12);2*3-5H,1-2H3;2-4,11H,1H3/t15-;15-,16+;15-;10-,13+;10-,11+;;;;/m00010..../s1
• InChIKey: YFRFNJRUEDZZSK-HSNQXIPOSA-N
• XLogP: 21.00
• TPSA: 876.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 50
• Rotatable Bonds: 40
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2919.16
LogP ≤ 5	21.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one;[(2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;4-hydroxy-5-methoxy-2-nitrobenzaldehyde;bis(5-methoxy-4-methyl-2-nitrobenzaldehyde);5-methoxy-4-methyl-2-nitrobenzoic acid;methyl (2S,4R)-4-hydroxy-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate?

The IUPAC name of [(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one;[(2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;4-hydroxy-5-methoxy-2-nitrobenzaldehyde;bis(5-methoxy-4-methyl-2-nitrobenzaldehyde);5-methoxy-4-methyl-2-nitrobenzoic acid;methyl (2S,4R)-4-hydroxy-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate (CID 165100435) is [(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one;[(2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;4-hydroxy-5-methoxy-2-nitrobenzaldehyde;bis(5-methoxy-4-methyl-2-nitrobenzaldehyde);5-methoxy-4-methyl-2-nitrobenzoic acid;methyl (2S,4R)-4-hydroxy-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate.

What is the SMILES notation for [(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one;[(2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;4-hydroxy-5-methoxy-2-nitrobenzaldehyde;bis(5-methoxy-4-methyl-2-nitrobenzaldehyde);5-methoxy-4-methyl-2-nitrobenzoic acid;methyl (2S,4R)-4-hydroxy-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate?

The canonical SMILES for [(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one;[(2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;4-hydroxy-5-methoxy-2-nitrobenzaldehyde;bis(5-methoxy-4-methyl-2-nitrobenzaldehyde);5-methoxy-4-methyl-2-nitrobenzoic acid;methyl (2S,4R)-4-hydroxy-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate is COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1cc(OC)c(C)cc1[N+](=O)[O-].COc1cc(C(=O)N2CC=C(OS(=O)(=O)C(F)(F)F)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.COc1cc(C(=O)N2CCC(=O)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.COc1cc(C(=O)N2CC[C@@H](O)C[C@H]2CO)c([N+](=O)[O-])cc1C.COc1cc(C(=O)N2CC[C@@H](O)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.COc1cc(C(=O)O)c([N+](=O)[O-])cc1C.COc1cc(C=O)c([N+](=O)[O-])cc1C.COc1cc(C=O)c([N+](=O)[O-])cc1C.COc1cc(C=O)c([N+](=O)[O-])cc1O.

What is the InChIKey of [(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one;[(2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;4-hydroxy-5-methoxy-2-nitrobenzaldehyde;bis(5-methoxy-4-methyl-2-nitrobenzaldehyde);5-methoxy-4-methyl-2-nitrobenzoic acid;methyl (2S,4R)-4-hydroxy-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate?

The InChIKey is YFRFNJRUEDZZSK-HSNQXIPOSA-N. The full InChI is InChI=1S/C22H31F3N2O8SSi.C21H34N2O6Si.C21H32N2O6Si.C16H20N2O7.C15H20N2O6.C9H9NO5.2C9H9NO4.C8H7NO5/c1-14-10-18(27(29)30)17(12-19(14)33-5)20(28)26-9-8-16(35-36(31,32)22(23,24)25)11-15(26)13-34-37(6,7)21(2,3)4;2*1-14-10-18(23(26)27)17(12-19(14)28-5)20(25)22-9-8-16(24)11-15(22)13-29-30(6,7)21(2,3)4;1-9-6-12(18(22)23)11(8-14(9)24-2)15(20)17-5-4-10(19)7-13(17)16(21)25-3;1-9-5-13(17(21)22)12(7-14(9)23-2)15(20)16-4-3-11(19)6-10(16)8-18;1-5-3-7(10(13)14)6(9(11)12)4-8(5)15-2;2*1-6-3-8(10(12)13)7(5-11)4-9(6)14-2;1-14-8-2-5(4-10)6(9(12)13)3-7(8)11/h8,10,12,15H,9,11,13H2,1-7H3;10,12,15-16,24H,8-9,11,13H2,1-7H3;10,12,15H,8-9,11,13H2,1-7H3;6,8,10,13,19H,4-5,7H2,1-3H3;5,7,10-11,18-19H,3-4,6,8H2,1-2H3;3-4H,1-2H3,(H,11,12);2*3-5H,1-2H3;2-4,11H,1H3/t15-;15-,16+;15-;10-,13+;10-,11+;;;;/m00010..../s1.

What are the key properties of [(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one;[(2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;4-hydroxy-5-methoxy-2-nitrobenzaldehyde;bis(5-methoxy-4-methyl-2-nitrobenzaldehyde);5-methoxy-4-methyl-2-nitrobenzoic acid;methyl (2S,4R)-4-hydroxy-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate?

[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one;[(2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;4-hydroxy-5-methoxy-2-nitrobenzaldehyde;bis(5-methoxy-4-methyl-2-nitrobenzaldehyde);5-methoxy-4-methyl-2-nitrobenzoic acid;methyl (2S,4R)-4-hydroxy-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate has a molecular weight of 2919.16 g/mol, XLogP of 21.00, 40 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one;[(2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;4-hydroxy-5-methoxy-2-nitrobenzaldehyde;bis(5-methoxy-4-methyl-2-nitrobenzaldehyde);5-methoxy-4-methyl-2-nitrobenzoic acid;methyl (2S,4R)-4-hydroxy-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 165100435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).