tert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate

C31H48N2O3Si — CID 58376791

IUPACtert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate
SMILESCC(C)N[C@@H]1CC[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C31H48N2O3Si/c1-24(2)32-25-19-20-26(33(23-25)29(34)36-30(3,4)5)21-22-35-37(31(6,7)8,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-18,24-26,32H,19-23H2,1-8H3/t25-,26-/m1/s1
InChIKeyIJRSAUWMIRZOQA-CLJLJLNGSA-N
MW524.82 g/mol
LogP5.72
Rot. Bonds8

About tert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate

tert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate (PubChem CID 58376791) has the molecular formula C31H48N2O3Si and a molecular weight of 524.82 g/mol. Its IUPAC name is tert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate
PubChem CID58376791
Molecular FormulaC31H48N2O3Si
Molecular Weight524.82 g/mol
Exact Mass524.34
IUPAC Nametert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate
SMILESCC(C)N[C@@H]1CC[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C31H48N2O3Si/c1-24(2)32-25-19-20-26(33(23-25)29(34)36-30(3,4)5)21-22-35-37(31(6,7)8,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-18,24-26,32H,19-23H2,1-8H3/t25-,26-/m1/s1
InChIKeyIJRSAUWMIRZOQA-CLJLJLNGSA-N
XLogP5.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.82
LogP ≤ 55.72
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

trans-4-amino-1-tert-butoxycarbonyl(2S)-(tert-butyldiphenylsilyloxy)methylpyrrolidine
CID 69332987
tert-butyl N-[2-[3-[tert-butyl(diphenyl)silyl]oxypropyl-methylamino]-3,3,3-trifluoropropyl]carbamate
CID 163278767
Tert-butyl 4-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl]piperazine-1-carboxylate
CID 171811047
[4-[Tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl] piperazine-1-carboxylate
CID 176050837
tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 11527005
tert-butyl N-[(2S)-6-amino-1-[tert-butyl(diphenyl)silyl]oxyhexan-2-yl]carbamate
CID 101750563
tert-butyl (2R,4S,6S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enyl]piperidine-1-carboxylate
CID 146167055
tert-butyl N-[(3R,4R)-4-azido-7-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-yl]carbamate
CID 162397359
tert-butyl N-[(Z,3S)-1-[tert-butyl(diphenyl)silyl]oxytetradec-5-en-3-yl]carbamate
CID 11801092
tert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate
CID 58007047
tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperazine-1-carboxylate
CID 59465678
[(1R)-3-(tert-butyl-diphenyl-silanyloxy)-1-ethyl-pent-4-enyl]-carbamic acid isopropyl ester
CID 67134844

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate (CID 58376791) is tert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate is CC(C)N[C@@H]1CC[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate?
The InChIKey is IJRSAUWMIRZOQA-CLJLJLNGSA-N. The full InChI is InChI=1S/C31H48N2O3Si/c1-24(2)32-25-19-20-26(33(23-25)29(34)36-30(3,4)5)21-22-35-37(31(6,7)8,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-18,24-26,32H,19-23H2,1-8H3/t25-,26-/m1/s1.
What are the key properties of tert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate?
tert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate has a molecular weight of 524.82 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 58376791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).