tert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane

C20H35NO2Si — CID 171838026

IUPACtert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CCN(CCOCc2ccccc2)CC1
InChIInChI=1S/C20H35NO2Si/c1-20(2,3)24(4,5)23-19-11-13-21(14-12-19)15-16-22-17-18-9-7-6-8-10-18/h6-10,19H,11-17H2,1-5H3
InChIKeyNBAQIPSBOXLFKK-UHFFFAOYSA-N
MW349.59 g/mol
LogP4.69
Rot. Bonds7

About tert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane

tert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane (PubChem CID 171838026) has the molecular formula C20H35NO2Si and a molecular weight of 349.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane
PubChem CID171838026
Molecular FormulaC20H35NO2Si
Molecular Weight349.59 g/mol
Exact Mass349.24
IUPAC Nametert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CCN(CCOCc2ccccc2)CC1
InChIInChI=1S/C20H35NO2Si/c1-20(2,3)24(4,5)23-19-11-13-21(14-12-19)15-16-22-17-18-9-7-6-8-10-18/h6-10,19H,11-17H2,1-5H3
InChIKeyNBAQIPSBOXLFKK-UHFFFAOYSA-N
XLogP4.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.59
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane (CID 171838026) is tert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane is CC(C)(C)[Si](C)(C)OC1CCN(CCOCc2ccccc2)CC1.
What is the InChIKey of tert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane?
The InChIKey is NBAQIPSBOXLFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2Si/c1-20(2,3)24(4,5)23-19-11-13-21(14-12-19)15-16-22-17-18-9-7-6-8-10-18/h6-10,19H,11-17H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane?
tert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane has a molecular weight of 349.59 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-(2-phenylmethoxyethyl)piperidin-4-yl]oxysilane is sourced from PubChem (CID 171838026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).