tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate

C26H37NO4Si — CID 101467337

IUPACtert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)C1
InChIInChI=1S/C26H37NO4Si/c1-25(2,3)30-24(29)27-18-17-23(22(28)19-27)31-32(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-23,28H,17-19H2,1-6H3/t22-,23-/m1/s1
InChIKeyRFNYMKCFEMVSST-DHIUTWEWSA-N
MW455.67 g/mol
LogP3.93
Rot. Bonds4

About tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate

tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate (PubChem CID 101467337) has the molecular formula C26H37NO4Si and a molecular weight of 455.67 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate
PubChem CID101467337
Molecular FormulaC26H37NO4Si
Molecular Weight455.67 g/mol
Exact Mass455.25
IUPAC Nametert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)C1
InChIInChI=1S/C26H37NO4Si/c1-25(2,3)30-24(29)27-18-17-23(22(28)19-27)31-32(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-23,28H,17-19H2,1-6H3/t22-,23-/m1/s1
InChIKeyRFNYMKCFEMVSST-DHIUTWEWSA-N
XLogP3.93
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.67
LogP ≤ 53.93
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

(2R/S,5S)-1-(tert-Butoxycarbonyl)-5-(tert-butyldiphenylsilanyloxymethyl)-2-hydroxypyrrolidine
CID 44556602
(3r,5s)-t-Butyl 3-((t-butyldiphenylsilyl)oxy)-5-(hydroxymethyl)piperidine-1-carboxylate
CID 153639200
(3S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid
CID 172708228
(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid
CID 175815286
tert-butyl (2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-2-[(E)-2-phenylethenyl]piperidine-1-carboxylate
CID 155814913
Methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate
CID 10983072
tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 25178002
tert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate
CID 134865039
tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate
CID 135067649
tert-butyl (4S)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 146169719
(r)-t-Butyl 3-((t-butyldiphenylsilyl)oxy)-5-methylenepiperidine-1-carboxylate
CID 153639195
(3r,5r)-t-Butyl 3-((t-butyldiphenylsilyl)oxy)-5-(hydroxymethyl)piperidine-1-carboxylate
CID 153639199

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate (CID 101467337) is tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)C1.
What is the InChIKey of tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate?
The InChIKey is RFNYMKCFEMVSST-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H37NO4Si/c1-25(2,3)30-24(29)27-18-17-23(22(28)19-27)31-32(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-23,28H,17-19H2,1-6H3/t22-,23-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate?
tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate has a molecular weight of 455.67 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 101467337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).