tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylate

C28H40FNO3Si — CID 21096977

IUPACtert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C28H40FNO3Si/c1-26(2,3)33-25(31)30-20-17-28(29,18-21-30)19-22-32-34(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16H,17-22H2,1-6H3
InChIKeySOBUUEHPWNRSFD-UHFFFAOYSA-N
MW485.72 g/mol
LogP5.69
Rot. Bonds6

About tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylate

tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylate (PubChem CID 21096977) has the molecular formula C28H40FNO3Si and a molecular weight of 485.72 g/mol. Its IUPAC name is tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylate
PubChem CID21096977
Molecular FormulaC28H40FNO3Si
Molecular Weight485.72 g/mol
Exact Mass485.28
IUPAC Nametert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C28H40FNO3Si/c1-26(2,3)33-25(31)30-20-17-28(29,18-21-30)19-22-32-34(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16H,17-22H2,1-6H3
InChIKeySOBUUEHPWNRSFD-UHFFFAOYSA-N
XLogP5.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.72
LogP ≤ 55.69
H-Bond Donors ≤ 50
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 tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylate (CID 21096977) is tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(F)(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylate?
The InChIKey is SOBUUEHPWNRSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40FNO3Si/c1-26(2,3)33-25(31)30-20-17-28(29,18-21-30)19-22-32-34(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16H,17-22H2,1-6H3.
What are the key properties of tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylate?
tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylate has a molecular weight of 485.72 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 21096977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).