2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane

C39H51NO6Si — CID 70126616

About 2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane

2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 70126616) has the molecular formula C39H51NO6Si and a molecular weight of 657.92 g/mol. Its IUPAC name is 2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane
• PubChem CID: 70126616
• Molecular Formula: C39H51NO6Si
• Molecular Weight: 657.92 g/mol
• Exact Mass: 657.35
• IUPAC Name: 2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane
• SMILES: COc1ccccc1COCCCOc1ccc(C2CCNCC2OCc2ccc3ccc(OCOCC[Si](C)(C)C)cc3c2)cc1
• InChI: InChI=1S/C39H51NO6Si/c1-41-38-9-6-5-8-33(38)28-42-20-7-21-44-35-15-13-32(14-16-35)37-18-19-40-26-39(37)45-27-30-10-11-31-12-17-36(25-34(31)24-30)46-29-43-22-23-47(2,3)4/h5-6,8-17,24-25,37,39-40H,7,18-23,26-29H2,1-4H3
• InChIKey: JPPFYVIFCAFUCT-UHFFFAOYSA-N
• XLogP: 8.19
• TPSA: 67.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.92
LogP ≤ 5	8.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane (CID 70126616) is 2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane is COc1ccccc1COCCCOc1ccc(C2CCNCC2OCc2ccc3ccc(OCOCC[Si](C)(C)C)cc3c2)cc1.

What is the InChIKey of 2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane?

The InChIKey is JPPFYVIFCAFUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H51NO6Si/c1-41-38-9-6-5-8-33(38)28-42-20-7-21-44-35-15-13-32(14-16-35)37-18-19-40-26-39(37)45-27-30-10-11-31-12-17-36(25-34(31)24-30)46-29-43-22-23-47(2,3)4/h5-6,8-17,24-25,37,39-40H,7,18-23,26-29H2,1-4H3.

What are the key properties of 2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane?

2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 657.92 g/mol, XLogP of 8.19, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 70126616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).