tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate

C27H39NO5Si — CID 135067649

IUPACtert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@@H](CO)C1
InChIInChI=1S/C27H39NO5Si/c1-26(2,3)32-25(31)28-17-20(19-29)24(30)23(18-28)33-34(27(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-24,29-30H,17-19H2,1-6H3/t20-,23?,24-/m1/s1
InChIKeyUDNMFYIFSQIZSS-WGNZSGQMSA-N
MW485.70 g/mol
LogP3.15
Rot. Bonds5

About tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 135067649) has the molecular formula C27H39NO5Si and a molecular weight of 485.70 g/mol. Its IUPAC name is tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID135067649
Molecular FormulaC27H39NO5Si
Molecular Weight485.70 g/mol
Exact Mass485.26
IUPAC Nametert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@@H](CO)C1
InChIInChI=1S/C27H39NO5Si/c1-26(2,3)32-25(31)28-17-20(19-29)24(30)23(18-28)33-34(27(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-24,29-30H,17-19H2,1-6H3/t20-,23?,24-/m1/s1
InChIKeyUDNMFYIFSQIZSS-WGNZSGQMSA-N
XLogP3.15
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.70
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3r,5s)-t-Butyl 3-((t-butyldiphenylsilyl)oxy)-5-(hydroxymethyl)piperidine-1-carboxylate
CID 153639200
Tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluoropiperidine-1-carboxylate
CID 177777799
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 (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate
CID 101467337
(2R,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethyl-1-morpholin-4-ylpentan-1-one
CID 134947980
(3r,5r)-t-Butyl 3-((t-butyldiphenylsilyl)oxy)-5-(hydroxymethyl)piperidine-1-carboxylate
CID 153639199
(3r,5r)-t-Butyl 3-((t-butyldiphenylsilyl)oxy)-5-(iodomethyl)piperidine-1-carboxylate
CID 153639201
(3r,5s)-t-Butyl 3-((t-butyldiphenylsilyl)oxy)-5-(iodomethyl)piperidine-1-carboxylate
CID 153639202
(3r,5r)-t-Butyl 3-(((t-butyldimethylsilyl)oxy)methyl)-5-((t-butyldiphenylsilyl)oxy)piperidine-1-carboxylate
CID 153639216
(3s,5r)-t-Butyl 3-(((t-butyldimethylsilyl)oxy)methyl)-5-((t-butyldiphenylsilyl)oxy)piperidine-1-carboxylate
CID 153639217
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10742413

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate (CID 135067649) is tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@@H](CO)C1.
What is the InChIKey of tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is UDNMFYIFSQIZSS-WGNZSGQMSA-N. The full InChI is InChI=1S/C27H39NO5Si/c1-26(2,3)32-25(31)28-17-20(19-29)24(30)23(18-28)33-34(27(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23-24,29-30H,17-19H2,1-6H3/t20-,23?,24-/m1/s1.
What are the key properties of tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate?
tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 485.70 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 135067649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).