tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate

C26H37NO3Si — CID 140918784

IUPACtert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C26H37NO3Si/c1-25(2,3)29-24(28)27-19-13-14-21(20-27)30-31(26(4,5)6,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-12,15-18,21H,13-14,19-20H2,1-6H3/t21-/m1/s1
InChIKeyJPEXNCVFNKTJBZ-OAQYLSRUSA-N
MW439.67 g/mol
LogP4.96
Rot. Bonds4

About tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate

tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate (PubChem CID 140918784) has the molecular formula C26H37NO3Si and a molecular weight of 439.67 g/mol. Its IUPAC name is tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate
PubChem CID140918784
Molecular FormulaC26H37NO3Si
Molecular Weight439.67 g/mol
Exact Mass439.25
IUPAC Nametert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C26H37NO3Si/c1-25(2,3)29-24(28)27-19-13-14-21(20-27)30-31(26(4,5)6,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-12,15-18,21H,13-14,19-20H2,1-6H3/t21-/m1/s1
InChIKeyJPEXNCVFNKTJBZ-OAQYLSRUSA-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 (3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate (CID 140918784) is tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate?
The InChIKey is JPEXNCVFNKTJBZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H37NO3Si/c1-25(2,3)29-24(28)27-19-13-14-21(20-27)30-31(26(4,5)6,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-12,15-18,21H,13-14,19-20H2,1-6H3/t21-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate?
tert-butyl (3R)-3-[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 (3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 140918784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).