tert-butyl (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoropiperidine-1-carboxylate

C17H34FNO3Si — CID 134827938

IUPACtert-butyl (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](F)CC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34FNO3Si/c1-16(2,3)22-15(20)19-11-13(18)9-10-14(19)12-21-23(7,8)17(4,5)6/h13-14H,9-12H2,1-8H3/t13-,14-/m1/s1
InChIKeyWZDZAOVCBYQENA-ZIAGYGMSSA-N
MW347.55 g/mol
LogP4.75
Rot. Bonds3

About tert-butyl (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoropiperidine-1-carboxylate

tert-butyl (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoropiperidine-1-carboxylate (PubChem CID 134827938) has the molecular formula C17H34FNO3Si and a molecular weight of 347.55 g/mol. Its IUPAC name is tert-butyl (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoropiperidine-1-carboxylate
PubChem CID134827938
Molecular FormulaC17H34FNO3Si
Molecular Weight347.55 g/mol
Exact Mass347.23
IUPAC Nametert-butyl (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](F)CC[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34FNO3Si/c1-16(2,3)22-15(20)19-11-13(18)9-10-14(19)12-21-23(7,8)17(4,5)6/h13-14H,9-12H2,1-8H3/t13-,14-/m1/s1
InChIKeyWZDZAOVCBYQENA-ZIAGYGMSSA-N
XLogP4.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 54.75
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 (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoropiperidine-1-carboxylate (CID 134827938) is tert-butyl (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](F)CC[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoropiperidine-1-carboxylate?
The InChIKey is WZDZAOVCBYQENA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H34FNO3Si/c1-16(2,3)22-15(20)19-11-13(18)9-10-14(19)12-21-23(7,8)17(4,5)6/h13-14H,9-12H2,1-8H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoropiperidine-1-carboxylate?
tert-butyl (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoropiperidine-1-carboxylate has a molecular weight of 347.55 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 134827938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).