tert-butyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate

C26H37NO3Si — CID 86661577

IUPACtert-butyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C26H37NO3Si/c1-25(2,3)29-24(28)27-19-17-21(18-20-27)30-31(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21H,17-20H2,1-6H3
InChIKeyNIQPHYBQUILNFE-UHFFFAOYSA-N
MW439.67 g/mol
LogP4.96
Rot. Bonds4

About tert-butyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate

tert-butyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate (PubChem CID 86661577) has the molecular formula C26H37NO3Si and a molecular weight of 439.67 g/mol. Its IUPAC name is tert-butyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate
PubChem CID86661577
Molecular FormulaC26H37NO3Si
Molecular Weight439.67 g/mol
Exact Mass439.25
IUPAC Nametert-butyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C26H37NO3Si/c1-25(2,3)29-24(28)27-19-17-21(18-20-27)30-31(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21H,17-20H2,1-6H3
InChIKeyNIQPHYBQUILNFE-UHFFFAOYSA-N
XLogP4.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.67
LogP ≤ 54.96
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 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate (CID 86661577) is tert-butyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate?
The InChIKey is NIQPHYBQUILNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO3Si/c1-25(2,3)29-24(28)27-19-17-21(18-20-27)30-31(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21H,17-20H2,1-6H3.
What are the key properties of tert-butyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate?
tert-butyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate has a molecular weight of 439.67 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 86661577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).