tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)piperidine-1-carboxylate

C31H47NO3Si — CID 163245983

IUPACtert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)piperidine-1-carboxylate
SMILESCC(C)CC1CCCN(C(=O)OC(C)(C)C)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H47NO3Si/c1-24(2)22-25-16-15-21-32(29(33)35-30(3,4)5)28(25)23-34-36(31(6,7)8,26-17-11-9-12-18-26)27-19-13-10-14-20-27/h9-14,17-20,24-25,28H,15-16,21-23H2,1-8H3
InChIKeyMALIKTOTBBPGMV-UHFFFAOYSA-N
MW509.81 g/mol
LogP6.62
Rot. Bonds7

About tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)piperidine-1-carboxylate

tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)piperidine-1-carboxylate (PubChem CID 163245983) has the molecular formula C31H47NO3Si and a molecular weight of 509.81 g/mol. Its IUPAC name is tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)piperidine-1-carboxylate
PubChem CID163245983
Molecular FormulaC31H47NO3Si
Molecular Weight509.81 g/mol
Exact Mass509.33
IUPAC Nametert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)piperidine-1-carboxylate
SMILESCC(C)CC1CCCN(C(=O)OC(C)(C)C)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H47NO3Si/c1-24(2)22-25-16-15-21-32(29(33)35-30(3,4)5)28(25)23-34-36(31(6,7)8,26-17-11-9-12-18-26)27-19-13-10-14-20-27/h9-14,17-20,24-25,28H,15-16,21-23H2,1-8H3
InChIKeyMALIKTOTBBPGMV-UHFFFAOYSA-N
XLogP6.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.81
LogP ≤ 56.62
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 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)piperidine-1-carboxylate (CID 163245983) is tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)piperidine-1-carboxylate is CC(C)CC1CCCN(C(=O)OC(C)(C)C)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)piperidine-1-carboxylate?
The InChIKey is MALIKTOTBBPGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47NO3Si/c1-24(2)22-25-16-15-21-32(29(33)35-30(3,4)5)28(25)23-34-36(31(6,7)8,26-17-11-9-12-18-26)27-19-13-10-14-20-27/h9-14,17-20,24-25,28H,15-16,21-23H2,1-8H3.
What are the key properties of tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)piperidine-1-carboxylate?
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)piperidine-1-carboxylate has a molecular weight of 509.81 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 163245983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).