tert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate

C27H47NO3Si — CID 164674119

IUPACtert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate
SMILESCC[Si](CC)(CC)OC(CCCCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C27H47NO3Si/c1-7-32(8-2,9-3)31-25(18-14-13-17-23-15-11-10-12-16-23)24-19-21-28(22-20-24)26(29)30-27(4,5)6/h10-12,15-16,24-25H,7-9,13-14,17-22H2,1-6H3
InChIKeyOVMMMUVVUMUECH-UHFFFAOYSA-N
MW461.76 g/mol
LogP7.44
Rot. Bonds11

About tert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate

tert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate (PubChem CID 164674119) has the molecular formula C27H47NO3Si and a molecular weight of 461.76 g/mol. Its IUPAC name is tert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate
PubChem CID164674119
Molecular FormulaC27H47NO3Si
Molecular Weight461.76 g/mol
Exact Mass461.33
IUPAC Nametert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate
SMILESCC[Si](CC)(CC)OC(CCCCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C27H47NO3Si/c1-7-32(8-2,9-3)31-25(18-14-13-17-23-15-11-10-12-16-23)24-19-21-28(22-20-24)26(29)30-27(4,5)6/h10-12,15-16,24-25H,7-9,13-14,17-22H2,1-6H3
InChIKeyOVMMMUVVUMUECH-UHFFFAOYSA-N
XLogP7.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.76
LogP ≤ 57.44
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'}

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Related Compounds

tert-butyl (2S,4R)-2-(4-fluorophenyl)-4-tri(propan-2-yl)silyloxypiperidine-1-carboxylate
CID 53242249
Tert-butyl 4-benzylpiperidine-1-carboxylate
CID 21843371
Tert-butyl 3-benzylpiperidine-1-carboxylate
CID 22351199
trans-tert-Butyl 3-benzyl-4-hydroxypiperidine-1-carboxylate
CID 69059365
BenZyl 4-[(t-butyldimethylsilyl)oxy]piperidine-1-carboxylate
CID 101381363
2-Methyl-3-(r)-((tert-butyldimethylsilyloxy)methyl)-4-(s)-(3-fluorophenyl)-1-tert-butoxycarbonylpyrrolidine
CID 20664067
3-(r)-((Tert-butyldimethylsilyloxy)methyl)-4-(s)-(3-fluorophenyl)-1-tert-butoxycarbonylpyrrolidine
CID 20664105
Tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)-2-methylpyrrolidine-1-carboxylate
CID 21193120
Tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)pyrrolidine-1-carboxylate
CID 21912714
1-Benzyloxycarbonyl-4-[2,2,2-trifluoro-1-(triethylsiloxy)-ethyl]piperidine
CID 67401817
(2-Methyl-4-phenylbutan-2-yl) 3-fluoropiperidine-1-carboxylate
CID 69852035
tert-butyl (4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)pyrrolidine-1-carboxylate
CID 69958915

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate (CID 164674119) is tert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate is CC[Si](CC)(CC)OC(CCCCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate?
The InChIKey is OVMMMUVVUMUECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47NO3Si/c1-7-32(8-2,9-3)31-25(18-14-13-17-23-15-11-10-12-16-23)24-19-21-28(22-20-24)26(29)30-27(4,5)6/h10-12,15-16,24-25H,7-9,13-14,17-22H2,1-6H3.
What are the key properties of tert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate?
tert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate has a molecular weight of 461.76 g/mol, XLogP of 7.44, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-phenyl-1-triethylsilyloxypentyl)piperidine-1-carboxylate is sourced from PubChem (CID 164674119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).