methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate

C20H33NO4Si — CID 140704130

IUPACmethyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1OC
InChIInChI=1S/C20H33NO4Si/c1-20(2,3)26(6,7)25-16-10-12-21(13-11-16)15-8-9-17(19(22)24-5)18(14-15)23-4/h8-9,14,16H,10-13H2,1-7H3
InChIKeyXKIKIDVNKCWSEW-UHFFFAOYSA-N
MW379.57 g/mol
LogP4.47
Rot. Bonds5

About methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate

methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate (PubChem CID 140704130) has the molecular formula C20H33NO4Si and a molecular weight of 379.57 g/mol. Its IUPAC name is methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate
PubChem CID140704130
Molecular FormulaC20H33NO4Si
Molecular Weight379.57 g/mol
Exact Mass379.22
IUPAC Namemethyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1OC
InChIInChI=1S/C20H33NO4Si/c1-20(2,3)26(6,7)25-16-10-12-21(13-11-16)15-8-9-17(19(22)24-5)18(14-15)23-4/h8-9,14,16H,10-13H2,1-7H3
InChIKeyXKIKIDVNKCWSEW-UHFFFAOYSA-N
XLogP4.47
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate?
The IUPAC name of methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate (CID 140704130) is methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate.
What is the SMILES notation for methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate?
The canonical SMILES for methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate is COC(=O)c1ccc(N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1OC.
What is the InChIKey of methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate?
The InChIKey is XKIKIDVNKCWSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4Si/c1-20(2,3)26(6,7)25-16-10-12-21(13-11-16)15-8-9-17(19(22)24-5)18(14-15)23-4/h8-9,14,16H,10-13H2,1-7H3.
What are the key properties of methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate?
methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate has a molecular weight of 379.57 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate is sourced from PubChem (CID 140704130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).