tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate

C29H41NO4Si — CID 11092252

IUPACtert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1CC1CO1
InChIInChI=1S/C29H41NO4Si/c1-28(2,3)33-27(31)30-19-13-18-26(25(30)20-22-21-32-22)34-35(29(4,5)6,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-12,14-17,22,25-26H,13,18-21H2,1-6H3
InChIKeyTXRQZXCHHKRJJD-UHFFFAOYSA-N
MW495.74 g/mol
LogP5.12
Rot. Bonds6

About tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate

tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate (PubChem CID 11092252) has the molecular formula C29H41NO4Si and a molecular weight of 495.74 g/mol. Its IUPAC name is tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate
PubChem CID11092252
Molecular FormulaC29H41NO4Si
Molecular Weight495.74 g/mol
Exact Mass495.28
IUPAC Nametert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1CC1CO1
InChIInChI=1S/C29H41NO4Si/c1-28(2,3)33-27(31)30-19-13-18-26(25(30)20-22-21-32-22)34-35(29(4,5)6,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-12,14-17,22,25-26H,13,18-21H2,1-6H3
InChIKeyTXRQZXCHHKRJJD-UHFFFAOYSA-N
XLogP5.12
TPSA51.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.74
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)piperidine-1-carboxylate
CID 134835662
tert-butyl (4S)-4-[(R)-[dimethyl(phenyl)silyl]-[(2S,3R)-3-tridecyloxiran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134866144
tert-butyl (4S)-4-[(R)-[dimethyl(phenyl)silyl]-[(2R,3S)-3-tridecyloxiran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134866335
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate
CID 11431341
1,1-dimethylethyl (2S,5S)-2-({[(1,1-dimethylethyl)(diphenyl)silyl]oxy}methyl)-5-methyl-1-piperidinecarboxylate
CID 67965005
(2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylic acid
CID 68915814
tert-Butyl (2S,4R)-2-({[tert-butyl(diphenyl)silyl]oxy}methyl)-4-[(methylsulfonyl)-oxy]piperidine-1-carboxylate
CID 86640979
(2S)-tert-Butyl 2-((tert-butyldiphenylsilyloxy)methyl)-6-methoxypiperidine-1-carboxylate
CID 86700549
(1R,3S,6S)-tert-Butyl 3-((tert-butyldiphenylsilyloxy)methyl)-2-azabicyclo[4.1.0]heptane-2-carboxylate
CID 86700552
tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3,3,4,4-pentadeuterio-5-methylpiperidine-1-carboxylate
CID 88531552
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxypiperidine-1-carboxylate
CID 89872566
tert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate
CID 91611041

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate (CID 11092252) is tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1CC1CO1.
What is the InChIKey of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate?
The InChIKey is TXRQZXCHHKRJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO4Si/c1-28(2,3)33-27(31)30-19-13-18-26(25(30)20-22-21-32-22)34-35(29(4,5)6,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-12,14-17,22,25-26H,13,18-21H2,1-6H3.
What are the key properties of tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate?
tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate has a molecular weight of 495.74 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 11092252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).