methyl (2R,3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[3-(methoxymethoxy)propyl]-3-methylpiperidine-1-carboxylate

C30H45NO5Si — CID 11203318

About methyl (2R,3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[3-(methoxymethoxy)propyl]-3-methylpiperidine-1-carboxylate

methyl (2R,3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[3-(methoxymethoxy)propyl]-3-methylpiperidine-1-carboxylate (PubChem CID 11203318) has the molecular formula C30H45NO5Si and a molecular weight of 527.78 g/mol. Its IUPAC name is methyl (2R,3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[3-(methoxymethoxy)propyl]-3-methylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: methyl (2R,3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[3-(methoxymethoxy)propyl]-3-methylpiperidine-1-carboxylate
• PubChem CID: 11203318
• Molecular Formula: C30H45NO5Si
• Molecular Weight: 527.78 g/mol
• Exact Mass: 527.31
• IUPAC Name: methyl (2R,3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[3-(methoxymethoxy)propyl]-3-methylpiperidine-1-carboxylate
• SMILES: COCOCCC[C@@H]1[C@@H](C)CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC
• InChI: InChI=1S/C30H45NO5Si/c1-24-19-20-25(31(29(32)34-6)28(24)18-13-21-35-23-33-5)22-36-37(30(2,3)4,26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-12,14-17,24-25,28H,13,18-23H2,1-6H3/t24-,25+,28+/m0/s1
• InChIKey: SYMCYSUXCRBFKA-BXTSTYNKSA-N
• XLogP: 5.20
• TPSA: 57.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.78
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[3-(methoxymethoxy)propyl]-3-methylpiperidine-1-carboxylate?

The IUPAC name of methyl (2R,3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[3-(methoxymethoxy)propyl]-3-methylpiperidine-1-carboxylate (CID 11203318) is methyl (2R,3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[3-(methoxymethoxy)propyl]-3-methylpiperidine-1-carboxylate.

What is the SMILES notation for methyl (2R,3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[3-(methoxymethoxy)propyl]-3-methylpiperidine-1-carboxylate?

The canonical SMILES for methyl (2R,3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[3-(methoxymethoxy)propyl]-3-methylpiperidine-1-carboxylate is COCOCCC[C@@H]1[C@@H](C)CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC.

What is the InChIKey of methyl (2R,3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[3-(methoxymethoxy)propyl]-3-methylpiperidine-1-carboxylate?

The InChIKey is SYMCYSUXCRBFKA-BXTSTYNKSA-N. The full InChI is InChI=1S/C30H45NO5Si/c1-24-19-20-25(31(29(32)34-6)28(24)18-13-21-35-23-33-5)22-36-37(30(2,3)4,26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-12,14-17,24-25,28H,13,18-23H2,1-6H3/t24-,25+,28+/m0/s1.

What are the key properties of methyl (2R,3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[3-(methoxymethoxy)propyl]-3-methylpiperidine-1-carboxylate?

methyl (2R,3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[3-(methoxymethoxy)propyl]-3-methylpiperidine-1-carboxylate has a molecular weight of 527.78 g/mol, XLogP of 5.20, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R,3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[3-(methoxymethoxy)propyl]-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 11203318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).