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

C18H36FNO3Si — CID 134827906

IUPACtert-butyl (2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](F)CC[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36FNO3Si/c1-17(2,3)23-16(21)20-13-14(19)9-10-15(20)11-12-22-24(7,8)18(4,5)6/h14-15H,9-13H2,1-8H3/t14-,15-/m1/s1
InChIKeyYMWWGXXSELJXSU-HUUCEWRRSA-N
MW361.57 g/mol
LogP5.14
Rot. Bonds4

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

tert-butyl (2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoropiperidine-1-carboxylate (PubChem CID 134827906) has the molecular formula C18H36FNO3Si and a molecular weight of 361.57 g/mol. Its IUPAC name is tert-butyl (2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoropiperidine-1-carboxylate
PubChem CID134827906
Molecular FormulaC18H36FNO3Si
Molecular Weight361.57 g/mol
Exact Mass361.24
IUPAC Nametert-butyl (2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](F)CC[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36FNO3Si/c1-17(2,3)23-16(21)20-13-14(19)9-10-15(20)11-12-22-24(7,8)18(4,5)6/h14-15H,9-13H2,1-8H3/t14-,15-/m1/s1
InChIKeyYMWWGXXSELJXSU-HUUCEWRRSA-N
XLogP5.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoropiperidine-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,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoropiperidine-1-carboxylate (CID 134827906) is tert-butyl (2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](F)CC[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoropiperidine-1-carboxylate?
The InChIKey is YMWWGXXSELJXSU-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H36FNO3Si/c1-17(2,3)23-16(21)20-13-14(19)9-10-15(20)11-12-22-24(7,8)18(4,5)6/h14-15H,9-13H2,1-8H3/t14-,15-/m1/s1.
What are the key properties of tert-butyl (2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoropiperidine-1-carboxylate?
tert-butyl (2R,5R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoropiperidine-1-carboxylate has a molecular weight of 361.57 g/mol, XLogP of 5.14, 4 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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 134827906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).