tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate

C27H39NO4Si — CID 168763153

IUPACtert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H39NO4Si/c1-26(2,3)32-25(30)28-18-17-22(29)19-21(28)20-31-33(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,21-22,29H,17-20H2,1-6H3/t21-,22-/m1/s1
InChIKeyQIYAZQPOLQNNJP-FGZHOGPDSA-N
MW469.70 g/mol
LogP4.32
Rot. Bonds5

About tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate

tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate (PubChem CID 168763153) has the molecular formula C27H39NO4Si and a molecular weight of 469.70 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate
PubChem CID168763153
Molecular FormulaC27H39NO4Si
Molecular Weight469.70 g/mol
Exact Mass469.26
IUPAC Nametert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H39NO4Si/c1-26(2,3)32-25(30)28-18-17-22(29)19-21(28)20-31-33(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,21-22,29H,17-20H2,1-6H3/t21-,22-/m1/s1
InChIKeyQIYAZQPOLQNNJP-FGZHOGPDSA-N
XLogP4.32
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.70
LogP ≤ 54.32
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 (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate (CID 168763153) is tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate?
The InChIKey is QIYAZQPOLQNNJP-FGZHOGPDSA-N. The full InChI is InChI=1S/C27H39NO4Si/c1-26(2,3)32-25(30)28-18-17-22(29)19-21(28)20-31-33(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,21-22,29H,17-20H2,1-6H3/t21-,22-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate?
tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate has a molecular weight of 469.70 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 168763153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).