tert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate

C17H33F2NO3Si — CID 134827905

IUPACtert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](F)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33F2NO3Si/c1-16(2,3)23-15(21)20-10-12(18)9-13(19)14(20)11-22-24(7,8)17(4,5)6/h12-14H,9-11H2,1-8H3/t12-,13+,14+/m0/s1
InChIKeyMMIHPZBNASDBFG-BFHYXJOUSA-N
MW365.54 g/mol
LogP4.69
Rot. Bonds3

About tert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate

tert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate (PubChem CID 134827905) has the molecular formula C17H33F2NO3Si and a molecular weight of 365.54 g/mol. Its IUPAC name is tert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate
PubChem CID134827905
Molecular FormulaC17H33F2NO3Si
Molecular Weight365.54 g/mol
Exact Mass365.22
IUPAC Nametert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](F)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33F2NO3Si/c1-16(2,3)23-15(21)20-10-12(18)9-13(19)14(20)11-22-24(7,8)17(4,5)6/h12-14H,9-11H2,1-8H3/t12-,13+,14+/m0/s1
InChIKeyMMIHPZBNASDBFG-BFHYXJOUSA-N
XLogP4.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate (CID 134827905) is tert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](F)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate?
The InChIKey is MMIHPZBNASDBFG-BFHYXJOUSA-N. The full InChI is InChI=1S/C17H33F2NO3Si/c1-16(2,3)23-15(21)20-10-12(18)9-13(19)14(20)11-22-24(7,8)17(4,5)6/h12-14H,9-11H2,1-8H3/t12-,13+,14+/m0/s1.
What are the key properties of tert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate?
tert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate has a molecular weight of 365.54 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-difluoropiperidine-1-carboxylate is sourced from PubChem (CID 134827905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).