tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate

C16H33NO4Si — CID 135396613

IUPACtert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H33NO4Si/c1-15(2,3)20-14(19)17-10-12(18)9-13(11-17)21-22(7,8)16(4,5)6/h12-13,18H,9-11H2,1-8H3/t12-,13-/m1/s1
InChIKeyPUEAOZNPUCMJCE-CHWSQXEVSA-N
MW331.53 g/mol
LogP3.38
Rot. Bonds2

About tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate

tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate (PubChem CID 135396613) has the molecular formula C16H33NO4Si and a molecular weight of 331.53 g/mol. Its IUPAC name is tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate
PubChem CID135396613
Molecular FormulaC16H33NO4Si
Molecular Weight331.53 g/mol
Exact Mass331.22
IUPAC Nametert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H33NO4Si/c1-15(2,3)20-14(19)17-10-12(18)9-13(11-17)21-22(7,8)16(4,5)6/h12-13,18H,9-11H2,1-8H3/t12-,13-/m1/s1
InChIKeyPUEAOZNPUCMJCE-CHWSQXEVSA-N
XLogP3.38
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
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 (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate (CID 135396613) is tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate?
The InChIKey is PUEAOZNPUCMJCE-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H33NO4Si/c1-15(2,3)20-14(19)17-10-12(18)9-13(11-17)21-22(7,8)16(4,5)6/h12-13,18H,9-11H2,1-8H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate?
tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate has a molecular weight of 331.53 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 135396613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).