2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane

C35H42FNO3Si — CID 22127049

About 2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane

2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 22127049) has the molecular formula C35H42FNO3Si and a molecular weight of 571.81 g/mol. Its IUPAC name is 2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane
• PubChem CID: 22127049
• Molecular Formula: C35H42FNO3Si
• Molecular Weight: 571.81 g/mol
• Exact Mass: 571.29
• IUPAC Name: 2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane
• SMILES: C[Si](C)(C)CCOCOc1cc(COC2CN(Cc3ccccc3)CCC2c2ccc(F)cc2)cc2ccccc12
• InChI: InChI=1S/C35H42FNO3Si/c1-41(2,3)20-19-38-26-40-34-22-28(21-30-11-7-8-12-32(30)34)25-39-35-24-37(23-27-9-5-4-6-10-27)18-17-33(35)29-13-15-31(36)16-14-29/h4-16,21-22,33,35H,17-20,23-26H2,1-3H3
• InChIKey: JHWOWIMCORWISE-UHFFFAOYSA-N
• XLogP: 8.24
• TPSA: 30.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.81
LogP ≤ 5	8.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane (CID 22127049) is 2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCOc1cc(COC2CN(Cc3ccccc3)CCC2c2ccc(F)cc2)cc2ccccc12.

What is the InChIKey of 2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane?

The InChIKey is JHWOWIMCORWISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42FNO3Si/c1-41(2,3)20-19-38-26-40-34-22-28(21-30-11-7-8-12-32(30)34)25-39-35-24-37(23-27-9-5-4-6-10-27)18-17-33(35)29-13-15-31(36)16-14-29/h4-16,21-22,33,35H,17-20,23-26H2,1-3H3.

What are the key properties of 2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane?

2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 571.81 g/mol, XLogP of 8.24, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[[1-benzyl-4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 22127049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).