tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate

C28H41NO3Si — CID 166543577

IUPACtert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1(C)C
InChIInChI=1S/C28H41NO3Si/c1-26(2,3)31-25(30)29-20-19-22(21-28(29,7)8)32-33(27(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22H,19-21H2,1-8H3
InChIKeyRJMQAZACLYHXQJ-UHFFFAOYSA-N
MW467.73 g/mol
LogP5.74
Rot. Bonds4

About tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate

tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate (PubChem CID 166543577) has the molecular formula C28H41NO3Si and a molecular weight of 467.73 g/mol. Its IUPAC name is tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate
PubChem CID166543577
Molecular FormulaC28H41NO3Si
Molecular Weight467.73 g/mol
Exact Mass467.29
IUPAC Nametert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1(C)C
InChIInChI=1S/C28H41NO3Si/c1-26(2,3)31-25(30)29-20-19-22(21-28(29,7)8)32-33(27(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22H,19-21H2,1-8H3
InChIKeyRJMQAZACLYHXQJ-UHFFFAOYSA-N
XLogP5.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.73
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 6-[tert-butyl(diphenyl)silyl]oxy-2-azaspiro[3.3]heptane-2-carboxylate
CID 140920935
tert-butyl 5-[tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylate
CID 131747989
3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 85218514
(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 169225341
1-O-tert-butyl 2-O-methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 143106522
dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 24787516
tert-butyl (3S)-3-[tert-butyl(diphenyl)silyl]oxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11351099
tert-butyl 8-[tert-butyl(diphenyl)silyl]oxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 171498404
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 155630213
tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate
CID 90383956
2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylic acid
CID 174057201
1-O-tert-butyl 2-O-methyl (1R,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-dicarboxylate
CID 162424135

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate (CID 166543577) is tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1(C)C.
What is the InChIKey of tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate?
The InChIKey is RJMQAZACLYHXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO3Si/c1-26(2,3)31-25(30)29-20-19-22(21-28(29,7)8)32-33(27(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,22H,19-21H2,1-8H3.
What are the key properties of tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate?
tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate has a molecular weight of 467.73 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 166543577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).