tert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate

C34H45NO3Si — CID 134866597

IUPACtert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C34H45NO3Si/c1-33(2,3)38-32(36)35-25-17-16-24-31(35)30(27-18-10-7-11-19-27)26-37-39(34(4,5)6,28-20-12-8-13-21-28)29-22-14-9-15-23-29/h7-15,18-23,30-31H,16-17,24-26H2,1-6H3/t30-,31-/m1/s1
InChIKeyXUWZYQBECSQHHG-FIRIVFDPSA-N
MW543.82 g/mol
LogP7.14
Rot. Bonds7

About tert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate (PubChem CID 134866597) has the molecular formula C34H45NO3Si and a molecular weight of 543.82 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate
PubChem CID134866597
Molecular FormulaC34H45NO3Si
Molecular Weight543.82 g/mol
Exact Mass543.32
IUPAC Nametert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C34H45NO3Si/c1-33(2,3)38-32(36)35-25-17-16-24-31(35)30(27-18-10-7-11-19-27)26-37-39(34(4,5)6,28-20-12-8-13-21-28)29-22-14-9-15-23-29/h7-15,18-23,30-31H,16-17,24-26H2,1-6H3/t30-,31-/m1/s1
InChIKeyXUWZYQBECSQHHG-FIRIVFDPSA-N
XLogP7.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.82
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (R)-2-((R)-2-hydroxy-1-phenylethyl)piperidine-1-carboxylate
CID 10780918
Tert-butyl 2-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]-3-fluoropiperidine-1-carboxylate
CID 177971190
Acetic acid 1-acetyl-2,3,6-triphenyl-piperidin-4-yl ester
CID 539205
tert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate
CID 10637333
tert-butyl (2S,3R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-octylphenyl)-5-prop-1-enylpyrrolidine-1-carboxylate
CID 134853097
tert-butyl (2S,3R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-octylphenyl)-5-prop-2-enylpyrrolidine-1-carboxylate
CID 134853167
(4R)-4-benzyl-3-[(5E)-8-[tert-butyl(diphenyl)silyl]oxyocta-1,2,5-trien-3-yl]-1,3-oxazolidin-2-one
CID 135066368
tert-butyl (2S,3S)-3-(tert-butyl-hydroxy-phenylsilyl)oxy-2-phenylpiperidine-1-carboxylate
CID 139120368
tert-butyl (2R,4R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methylpiperidine-1-carboxylate
CID 146167060
tert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate
CID 146167061
Tert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate
CID 164674119
tert-butyl (2S)-2-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1-carboxylate
CID 10662371

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate (CID 134866597) is tert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate?
The InChIKey is XUWZYQBECSQHHG-FIRIVFDPSA-N. The full InChI is InChI=1S/C34H45NO3Si/c1-33(2,3)38-32(36)35-25-17-16-24-31(35)30(27-18-10-7-11-19-27)26-37-39(34(4,5)6,28-20-12-8-13-21-28)29-22-14-9-15-23-29/h7-15,18-23,30-31H,16-17,24-26H2,1-6H3/t30-,31-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate has a molecular weight of 543.82 g/mol, XLogP of 7.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate is sourced from PubChem (CID 134866597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).