tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate

C27H39NO4Si — CID 86700550

IUPACtert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(O)CCC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H39NO4Si/c1-26(2,3)32-25(30)28-21(14-13-19-24(28)29)20-31-33(27(4,5)6,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-12,15-18,21,24,29H,13-14,19-20H2,1-6H3/t21-,24?/m0/s1
InChIKeyYVSDPHOCDJWOPA-XEGCMXMBSA-N
MW469.70 g/mol
LogP4.67
Rot. Bonds5

About tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate

tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate (PubChem CID 86700550) has the molecular formula C27H39NO4Si and a molecular weight of 469.70 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate
PubChem CID86700550
Molecular FormulaC27H39NO4Si
Molecular Weight469.70 g/mol
Exact Mass469.26
IUPAC Nametert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(O)CCC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H39NO4Si/c1-26(2,3)32-25(30)28-21(14-13-19-24(28)29)20-31-33(27(4,5)6,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-12,15-18,21,24,29H,13-14,19-20H2,1-6H3/t21-,24?/m0/s1
InChIKeyYVSDPHOCDJWOPA-XEGCMXMBSA-N
XLogP4.67
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.70
LogP ≤ 54.67
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

(1R,3S,5R)-2-Boc-3-[[(tert-butyldiphenylsilyl)oxy]methyl]-2-azabicyclo[3.1.0]hexane
CID 10863327
(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
Tert-butyl 4-(2-{[tert-butyldiphenylsilyl]oxy}ethyl)-4-fluoro-1-piperidinecarboxylate
CID 21096977
(2R/S,5S)-1-(tert-Butoxycarbonyl)-5-(tert-butyldiphenylsilanyloxymethyl)-2-methoxypyrrolidine
CID 10885179
(2S,3R)-1-(tert-Butoxycarbonyl)-2-(tert-butyldiphenylsilanyloxymethyl)-3-vinylpyrrolidine
CID 23726637
Methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate
CID 10983072
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 11189879
tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate
CID 101467337
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)piperidine-1-carboxylate
CID 134835662
tert-butyl (2S,6S)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)-1-oxa-7-azaspiro[5.5]undecane-7-carboxylate
CID 134865039
methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate
CID 134865127

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate (CID 86700550) is tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1C(O)CCC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate?
The InChIKey is YVSDPHOCDJWOPA-XEGCMXMBSA-N. The full InChI is InChI=1S/C27H39NO4Si/c1-26(2,3)32-25(30)28-21(14-13-19-24(28)29)20-31-33(27(4,5)6,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-12,15-18,21,24,29H,13-14,19-20H2,1-6H3/t21-,24?/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate?
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate has a molecular weight of 469.70 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 86700550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).