5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]-6-hydroxypiperidin-2-one

C19H30FNO3Si — CID 174002675

IUPAC5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]-6-hydroxypiperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCc1ccc(C2CCC(=O)NC2O)c(F)c1
InChIInChI=1S/C19H30FNO3Si/c1-19(2,3)25(4,5)24-11-10-13-6-7-14(16(20)12-13)15-8-9-17(22)21-18(15)23/h6-7,12,15,18,23H,8-11H2,1-5H3,(H,21,22)
InChIKeySUFPTUMCBDLIIA-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.70
Rot. Bonds5

About 5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]-6-hydroxypiperidin-2-one

5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]-6-hydroxypiperidin-2-one (PubChem CID 174002675) has the molecular formula C19H30FNO3Si and a molecular weight of 367.54 g/mol. Its IUPAC name is 5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]-6-hydroxypiperidin-2-one.

Molecular Properties

Compound Name5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]-6-hydroxypiperidin-2-one
PubChem CID174002675
Molecular FormulaC19H30FNO3Si
Molecular Weight367.54 g/mol
Exact Mass367.20
IUPAC Name5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]-6-hydroxypiperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCc1ccc(C2CCC(=O)NC2O)c(F)c1
InChIInChI=1S/C19H30FNO3Si/c1-19(2,3)25(4,5)24-11-10-13-6-7-14(16(20)12-13)15-8-9-17(22)21-18(15)23/h6-7,12,15,18,23H,8-11H2,1-5H3,(H,21,22)
InChIKeySUFPTUMCBDLIIA-UHFFFAOYSA-N
XLogP3.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]-6-hydroxypiperidin-2-one?
The IUPAC name of 5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]-6-hydroxypiperidin-2-one (CID 174002675) is 5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]-6-hydroxypiperidin-2-one.
What is the SMILES notation for 5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]-6-hydroxypiperidin-2-one?
The canonical SMILES for 5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]-6-hydroxypiperidin-2-one is CC(C)(C)[Si](C)(C)OCCc1ccc(C2CCC(=O)NC2O)c(F)c1.
What is the InChIKey of 5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]-6-hydroxypiperidin-2-one?
The InChIKey is SUFPTUMCBDLIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO3Si/c1-19(2,3)25(4,5)24-11-10-13-6-7-14(16(20)12-13)15-8-9-17(22)21-18(15)23/h6-7,12,15,18,23H,8-11H2,1-5H3,(H,21,22).
What are the key properties of 5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]-6-hydroxypiperidin-2-one?
5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]-6-hydroxypiperidin-2-one has a molecular weight of 367.54 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-fluorophenyl]-6-hydroxypiperidin-2-one is sourced from PubChem (CID 174002675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).