tert-butyl (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-6-(phenylmethoxymethyl)piperidine-1-carboxylate

C41H61NO5Si2 — CID 11490983

IUPACtert-butyl (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-6-(phenylmethoxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](COCc2ccccc2)CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C41H61NO5Si2/c1-39(2,3)46-38(43)42-33(30-44-29-32-21-15-12-16-22-32)27-28-37(36(42)31-45-48(10,11)40(4,5)6)47-49(41(7,8)9,34-23-17-13-18-24-34)35-25-19-14-20-26-35/h12-26,33,36-37H,27-31H2,1-11H3/t33-,36+,37-/m0/s1
InChIKeyHJDAMPYQNFYGCL-DLTAMOENSA-N
MW704.11 g/mol
LogP8.94
Rot. Bonds11

About tert-butyl (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-6-(phenylmethoxymethyl)piperidine-1-carboxylate

tert-butyl (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-6-(phenylmethoxymethyl)piperidine-1-carboxylate (PubChem CID 11490983) has the molecular formula C41H61NO5Si2 and a molecular weight of 704.11 g/mol. Its IUPAC name is tert-butyl (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-6-(phenylmethoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-6-(phenylmethoxymethyl)piperidine-1-carboxylate
PubChem CID11490983
Molecular FormulaC41H61NO5Si2
Molecular Weight704.11 g/mol
Exact Mass703.41
IUPAC Nametert-butyl (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-6-(phenylmethoxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](COCc2ccccc2)CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C41H61NO5Si2/c1-39(2,3)46-38(43)42-33(30-44-29-32-21-15-12-16-22-32)27-28-37(36(42)31-45-48(10,11)40(4,5)6)47-49(41(7,8)9,34-23-17-13-18-24-34)35-25-19-14-20-26-35/h12-26,33,36-37H,27-31H2,1-11H3/t33-,36+,37-/m0/s1
InChIKeyHJDAMPYQNFYGCL-DLTAMOENSA-N
XLogP8.94
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.11
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-fluorohept-6-en-2-yl]-N-(3-methylbutyl)carbamate
CID 89934016
benzyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-fluoroheptan-2-yl]-N-(3-methylbutyl)carbamate
CID 89934017
benzyl (3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylate
CID 156730743
benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxy)propan-2-yl]-N-(2,2-difluoroethyl)carbamate
CID 169181562
benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxy)butan-2-yl]-N-(2,2-difluoroethyl)carbamate
CID 172554926
benzyl (3S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylate
CID 173937391
Benzyl 4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylate
CID 173937392
[(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
CID 11113721
tert-butyl (4R)-4-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11953595
benzyl (2R,5S,8aS)-5-ethenyl-2-methyl-4-tri(propan-2-yl)silyloxy-2,3,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxylate
CID 24179694
tert-butyl (2S)-2-[(6R,7aS)-6-[tert-butyl(diphenyl)silyl]oxy-2-oxo-6,7-dihydro-1-benzofuran-7a-yl]piperidine-1-carboxylate
CID 25104817
tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxymethyl)piperidine-1-carboxylate
CID 44179088

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-6-(phenylmethoxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-6-(phenylmethoxymethyl)piperidine-1-carboxylate (CID 11490983) is tert-butyl (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-6-(phenylmethoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-6-(phenylmethoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-6-(phenylmethoxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1[C@H](COCc2ccccc2)CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-6-(phenylmethoxymethyl)piperidine-1-carboxylate?
The InChIKey is HJDAMPYQNFYGCL-DLTAMOENSA-N. The full InChI is InChI=1S/C41H61NO5Si2/c1-39(2,3)46-38(43)42-33(30-44-29-32-21-15-12-16-22-32)27-28-37(36(42)31-45-48(10,11)40(4,5)6)47-49(41(7,8)9,34-23-17-13-18-24-34)35-25-19-14-20-26-35/h12-26,33,36-37H,27-31H2,1-11H3/t33-,36+,37-/m0/s1.
What are the key properties of tert-butyl (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-6-(phenylmethoxymethyl)piperidine-1-carboxylate?
tert-butyl (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-6-(phenylmethoxymethyl)piperidine-1-carboxylate has a molecular weight of 704.11 g/mol, XLogP of 8.94, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-6-(phenylmethoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 11490983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).