tert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane

C24H34FNOSi — CID 135010031

IUPACtert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane
SMILESCC[C@@]1(F)C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN(C)C1
InChIInChI=1S/C24H34FNOSi/c1-6-24(25)17-20(18-26(5)19-24)27-28(23(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,6,17-19H2,1-5H3/t20-,24-/m1/s1
InChIKeyPVVHHXLSZBVWLF-HYBUGGRVSA-N
MW399.63 g/mol
LogP4.39
Rot. Bonds5

About tert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane

tert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane (PubChem CID 135010031) has the molecular formula C24H34FNOSi and a molecular weight of 399.63 g/mol. Its IUPAC name is tert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane
PubChem CID135010031
Molecular FormulaC24H34FNOSi
Molecular Weight399.63 g/mol
Exact Mass399.24
IUPAC Nametert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane
SMILESCC[C@@]1(F)C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN(C)C1
InChIInChI=1S/C24H34FNOSi/c1-6-24(25)17-20(18-26(5)19-24)27-28(23(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,6,17-19H2,1-5H3/t20-,24-/m1/s1
InChIKeyPVVHHXLSZBVWLF-HYBUGGRVSA-N
XLogP4.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.63
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane (CID 135010031) is tert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane is CC[C@@]1(F)C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN(C)C1.
What is the InChIKey of tert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane?
The InChIKey is PVVHHXLSZBVWLF-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H34FNOSi/c1-6-24(25)17-20(18-26(5)19-24)27-28(23(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,6,17-19H2,1-5H3/t20-,24-/m1/s1.
What are the key properties of tert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane?
tert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane has a molecular weight of 399.63 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 135010031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).