tert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate

C34H51NO3Si — CID 146167061

IUPACtert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@@H]1C[C@@H](C)C[C@@H](CCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C34H51NO3Si/c1-9-18-28-25-27(2)26-29(35(28)32(36)38-33(3,4)5)19-16-17-24-37-39(34(6,7)8,30-20-12-10-13-21-30)31-22-14-11-15-23-31/h9-15,20-23,27-29H,1,16-19,24-26H2,2-8H3/t27-,28-,29-/m1/s1
InChIKeyLXRHHQMDTRXNKY-MPFGFTFXSA-N
MW549.87 g/mol
LogP7.71
Rot. Bonds10

About tert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate

tert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate (PubChem CID 146167061) has the molecular formula C34H51NO3Si and a molecular weight of 549.87 g/mol. Its IUPAC name is tert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate
PubChem CID146167061
Molecular FormulaC34H51NO3Si
Molecular Weight549.87 g/mol
Exact Mass549.36
IUPAC Nametert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@@H]1C[C@@H](C)C[C@@H](CCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C34H51NO3Si/c1-9-18-28-25-27(2)26-29(35(28)32(36)38-33(3,4)5)19-16-17-24-37-39(34(6,7)8,30-20-12-10-13-21-30)31-22-14-11-15-23-31/h9-15,20-23,27-29H,1,16-19,24-26H2,2-8H3/t27-,28-,29-/m1/s1
InChIKeyLXRHHQMDTRXNKY-MPFGFTFXSA-N
XLogP7.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.87
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (1R,3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 10863327
Tert-butyl 4-(2-{[tert-butyldiphenylsilyl]oxy}ethyl)-4-fluoro-1-piperidinecarboxylate
CID 21096977
tert-Butyl (3S,4R)-3-(((tert-butyldimethylsilyl)oxy)methyl)-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 140883215
Tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 155895440
tert-butyl (3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 173767540
butyl N-[3-[3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]propyl]-N-(4,4-difluorocyclohexyl)carbamate
CID 176410561
Tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluoropiperidine-1-carboxylate
CID 177777799
(2S,3R)-1-(tert-Butoxycarbonyl)-2-(tert-butyldiphenylsilanyloxymethyl)-3-vinylpyrrolidine
CID 23726637
tert-butyl (2S,3R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-octylphenyl)-5-prop-1-enylpyrrolidine-1-carboxylate
CID 134853097
tert-butyl (2S,3R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-octylphenyl)-5-prop-2-enylpyrrolidine-1-carboxylate
CID 134853167
methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate
CID 134865127
tert-butyl (2R)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidine-1-carboxylate
CID 134866597

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate (CID 146167061) is tert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate is C=CC[C@@H]1C[C@@H](C)C[C@@H](CCCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate?
The InChIKey is LXRHHQMDTRXNKY-MPFGFTFXSA-N. The full InChI is InChI=1S/C34H51NO3Si/c1-9-18-28-25-27(2)26-29(35(28)32(36)38-33(3,4)5)19-16-17-24-37-39(34(6,7)8,30-20-12-10-13-21-30)31-22-14-11-15-23-31/h9-15,20-23,27-29H,1,16-19,24-26H2,2-8H3/t27-,28-,29-/m1/s1.
What are the key properties of tert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate?
tert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate has a molecular weight of 549.87 g/mol, XLogP of 7.71, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate is sourced from PubChem (CID 146167061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).