tert-butyl (2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(fluoromethyl)-4-oxopiperidine-1-carboxylate

C18H34FNO4Si — CID 177304264

IUPACtert-butyl (2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(fluoromethyl)-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CO[Si](C)(C)C(C)(C)C)CC(=O)C[C@@H]1CF
InChIInChI=1S/C18H34FNO4Si/c1-17(2,3)24-16(22)20-13(11-19)9-15(21)10-14(20)12-23-25(7,8)18(4,5)6/h13-14H,9-12H2,1-8H3/t13-,14+/m1/s1
InChIKeyWLILTBOJLXEARW-KGLIPLIRSA-N
MW375.56 g/mol
LogP4.31
Rot. Bonds4

About tert-butyl (2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(fluoromethyl)-4-oxopiperidine-1-carboxylate

tert-butyl (2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(fluoromethyl)-4-oxopiperidine-1-carboxylate (PubChem CID 177304264) has the molecular formula C18H34FNO4Si and a molecular weight of 375.56 g/mol. Its IUPAC name is tert-butyl (2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(fluoromethyl)-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(fluoromethyl)-4-oxopiperidine-1-carboxylate
PubChem CID177304264
Molecular FormulaC18H34FNO4Si
Molecular Weight375.56 g/mol
Exact Mass375.22
IUPAC Nametert-butyl (2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(fluoromethyl)-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CO[Si](C)(C)C(C)(C)C)CC(=O)C[C@@H]1CF
InChIInChI=1S/C18H34FNO4Si/c1-17(2,3)24-16(22)20-13(11-19)9-15(21)10-14(20)12-23-25(7,8)18(4,5)6/h13-14H,9-12H2,1-8H3/t13-,14+/m1/s1
InChIKeyWLILTBOJLXEARW-KGLIPLIRSA-N
XLogP4.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(fluoromethyl)-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(fluoromethyl)-4-oxopiperidine-1-carboxylate (CID 177304264) is tert-butyl (2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(fluoromethyl)-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(fluoromethyl)-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(fluoromethyl)-4-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1[C@H](CO[Si](C)(C)C(C)(C)C)CC(=O)C[C@@H]1CF.
What is the InChIKey of tert-butyl (2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(fluoromethyl)-4-oxopiperidine-1-carboxylate?
The InChIKey is WLILTBOJLXEARW-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H34FNO4Si/c1-17(2,3)24-16(22)20-13(11-19)9-15(21)10-14(20)12-23-25(7,8)18(4,5)6/h13-14H,9-12H2,1-8H3/t13-,14+/m1/s1.
What are the key properties of tert-butyl (2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(fluoromethyl)-4-oxopiperidine-1-carboxylate?
tert-butyl (2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(fluoromethyl)-4-oxopiperidine-1-carboxylate has a molecular weight of 375.56 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(fluoromethyl)-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 177304264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).