benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate

C20H33NO4Si — CID 11036265

IUPACbenzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)OCc2ccccc2)[C@H]1CO
InChIInChI=1S/C20H33NO4Si/c1-20(2,3)26(4,5)25-18-12-9-13-21(17(18)14-22)19(23)24-15-16-10-7-6-8-11-16/h6-8,10-11,17-18,22H,9,12-15H2,1-5H3/t17-,18+/m0/s1
InChIKeyKLHPXOGDRHKOSV-ZWKOTPCHSA-N
MW379.57 g/mol
LogP4.17
Rot. Bonds5

About benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate

benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 11036265) has the molecular formula C20H33NO4Si and a molecular weight of 379.57 g/mol. Its IUPAC name is benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID11036265
Molecular FormulaC20H33NO4Si
Molecular Weight379.57 g/mol
Exact Mass379.22
IUPAC Namebenzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)OCc2ccccc2)[C@H]1CO
InChIInChI=1S/C20H33NO4Si/c1-20(2,3)26(4,5)25-18-12-9-13-21(17(18)14-22)19(23)24-15-16-10-7-6-8-11-16/h6-8,10-11,17-18,22H,9,12-15H2,1-5H3/t17-,18+/m0/s1
InChIKeyKLHPXOGDRHKOSV-ZWKOTPCHSA-N
XLogP4.17
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 54.17
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

benzyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10719847
benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)piperidine-1-carboxylate
CID 101131554
benzyl (2R,3S)-2-[3-[(6-amino-6-bromocyclohexa-2,4-dien-1-yl)amino]-2-hydroxypropyl]-3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
CID 140843319
6-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylic acid
CID 141283580
benzyl 2-(oxiran-2-yl)pyrrolidine-1-carboxylate
CID 21051103
benzyl (2S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1,2-dihydroxyethyl]-3-methylpyrrolidine-1-carboxylate
CID 135013795
benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate
CID 10498412
benzyl 2-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylate
CID 135014037
1-O-benzyl 2-O-methyl (2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethylpyrrolidine-1,2-dicarboxylate
CID 169225497
benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1-methoxy-1-oxopent-4-en-2-yl)pyrrolidine-1-carboxylate
CID 10551415
2-O-benzyl 1-O-methyl (1S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2-azabicyclo[4.1.0]heptane-1,2-dicarboxylate
CID 56849516
benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate (CID 11036265) is benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate is CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)OCc2ccccc2)[C@H]1CO.
What is the InChIKey of benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is KLHPXOGDRHKOSV-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H33NO4Si/c1-20(2,3)26(4,5)25-18-12-9-13-21(17(18)14-22)19(23)24-15-16-10-7-6-8-11-16/h6-8,10-11,17-18,22H,9,12-15H2,1-5H3/t17-,18+/m0/s1.
What are the key properties of benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate?
benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 379.57 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 11036265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).