tert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate

C34H43NO4Si — CID 155814913

IUPACtert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C34H43NO4Si/c1-33(2,3)38-32(37)35-25-24-30(36)31(29(35)23-22-26-16-10-7-11-17-26)39-40(34(4,5)6,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-23,29-31,36H,24-25H2,1-6H3/b23-22+/t29-,30?,31+/m1/s1
InChIKeyHKTHUHLLGGNCOV-STKRFKTFSA-N
MW557.81 g/mol
LogP6.02
Rot. Bonds6

About tert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate

tert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate (PubChem CID 155814913) has the molecular formula C34H43NO4Si and a molecular weight of 557.81 g/mol. Its IUPAC name is tert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate
PubChem CID155814913
Molecular FormulaC34H43NO4Si
Molecular Weight557.81 g/mol
Exact Mass557.30
IUPAC Nametert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C34H43NO4Si/c1-33(2,3)38-32(37)35-25-24-30(36)31(29(35)23-22-26-16-10-7-11-17-26)39-40(34(4,5)6,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-23,29-31,36H,24-25H2,1-6H3/b23-22+/t29-,30?,31+/m1/s1
InChIKeyHKTHUHLLGGNCOV-STKRFKTFSA-N
XLogP6.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.81
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate
CID 101467337
tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate
CID 135067649
(4S,5R)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one
CID 139089680
(4R,5S)-3-benzyl-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one
CID 11752410
(4R,5S)-3-benzyl-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-4-ethenyl-1,3-oxazolidin-2-one
CID 21576469
tert-butyl (2S,3S,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-2-(phenylmethoxymethyl)piperidine-1-carboxylate
CID 60153573
tert-butyl (2S,3R,4R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-2-(phenylmethoxymethyl)piperidine-1-carboxylate
CID 60153650
benzyl-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamic acid
CID 66637139
Tert-butyl 2-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-phenylpyrrolidine-1-carboxylate
CID 71066618
[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutyl] N-benzyl-N-propan-2-ylcarbamate
CID 91290286
tert-butyl (3R,6S)-6-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 145743900
tert-butyl (3S,6S)-6-benzyl-3-[tert-butyl(diphenyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 145743901

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate (CID 155814913) is tert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1/C=C/c1ccccc1.
What is the InChIKey of tert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate?
The InChIKey is HKTHUHLLGGNCOV-STKRFKTFSA-N. The full InChI is InChI=1S/C34H43NO4Si/c1-33(2,3)38-32(37)35-25-24-30(36)31(29(35)23-22-26-16-10-7-11-17-26)39-40(34(4,5)6,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h7-23,29-31,36H,24-25H2,1-6H3/b23-22+/t29-,30?,31+/m1/s1.
What are the key properties of tert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate?
tert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate has a molecular weight of 557.81 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate is sourced from PubChem (CID 155814913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).