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

C27H39NO3Si — CID 151127717

IUPACtert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C27H39NO3Si/c1-26(2,3)31-25(29)28-19-17-22(18-20-28)21-30-32(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22H,17-21H2,1-6H3
InChIKeyMTOCGHDKVQWXHC-UHFFFAOYSA-N
MW453.70 g/mol
LogP5.21
Rot. Bonds5

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

tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate (PubChem CID 151127717) has the molecular formula C27H39NO3Si and a molecular weight of 453.70 g/mol. Its IUPAC name is tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate
PubChem CID151127717
Molecular FormulaC27H39NO3Si
Molecular Weight453.70 g/mol
Exact Mass453.27
IUPAC Nametert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C27H39NO3Si/c1-26(2,3)31-25(29)28-19-17-22(18-20-28)21-30-32(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22H,17-21H2,1-6H3
InChIKeyMTOCGHDKVQWXHC-UHFFFAOYSA-N
XLogP5.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.70
LogP ≤ 55.21
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]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate (CID 151127717) is tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is MTOCGHDKVQWXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO3Si/c1-26(2,3)31-25(29)28-19-17-22(18-20-28)21-30-32(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22H,17-21H2,1-6H3.
What are the key properties of tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 453.70 g/mol, XLogP of 5.21, 5 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]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 151127717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).