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

C39H51NO6Si — CID 70126616

IUPAC2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCOc1ccccc1COCCCOc1ccc(C2CCNCC2OCc2ccc3ccc(OCOCC[Si](C)(C)C)cc3c2)cc1
InChIInChI=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
InChIKeyJPPFYVIFCAFUCT-UHFFFAOYSA-N
MW657.92 g/mol
LogP8.19
Rot. Bonds18

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 Name2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID70126616
Molecular FormulaC39H51NO6Si
Molecular Weight657.92 g/mol
Exact Mass657.35
IUPAC Name2-[[7-[[4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCOc1ccccc1COCCCOc1ccc(C2CCNCC2OCc2ccc3ccc(OCOCC[Si](C)(C)C)cc3c2)cc1
InChIInChI=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
InChIKeyJPPFYVIFCAFUCT-UHFFFAOYSA-N
XLogP8.19
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.92
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

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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).