[(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane

C28H39NOSi — CID 102324961

About [(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane

[(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102324961) has the molecular formula C28H39NOSi and a molecular weight of 433.71 g/mol. Its IUPAC name is [(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 102324961
• Molecular Formula: C28H39NOSi
• Molecular Weight: 433.71 g/mol
• Exact Mass: 433.28
• IUPAC Name: [(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](/C=C/c2ccccc2)N1Cc1ccccc1
• InChI: InChI=1S/C28H39NOSi/c1-7-25-20-27(30-31(5,6)28(2,3)4)21-26(19-18-23-14-10-8-11-15-23)29(25)22-24-16-12-9-13-17-24/h7-19,25-27H,1,20-22H2,2-6H3/b19-18+/t25-,26+,27+/m0/s1
• InChIKey: VCFNSLZGTKBODB-KDGSMCSDSA-N
• XLogP: 7.31
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.71
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane (CID 102324961) is [(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane is C=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](/C=C/c2ccccc2)N1Cc1ccccc1.

What is the InChIKey of [(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is VCFNSLZGTKBODB-KDGSMCSDSA-N. The full InChI is InChI=1S/C28H39NOSi/c1-7-25-20-27(30-31(5,6)28(2,3)4)21-26(19-18-23-14-10-8-11-15-23)29(25)22-24-16-12-9-13-17-24/h7-19,25-27H,1,20-22H2,2-6H3/b19-18+/t25-,26+,27+/m0/s1.

What are the key properties of [(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane?

[(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 433.71 g/mol, XLogP of 7.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4R,6S)-1-benzyl-2-ethenyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102324961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).