tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate

C17H33NO4Si — CID 170939046

IUPACtert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C=O
InChIInChI=1S/C17H33NO4Si/c1-16(2,3)21-15(20)18-10-9-14(11-13(18)12-19)22-23(7,8)17(4,5)6/h12-14H,9-11H2,1-8H3/t13-,14-/m0/s1
InChIKeyGPOYMEYCJJKXFS-KBPBESRZSA-N
MW343.54 g/mol
LogP3.98
Rot. Bonds3

About tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate

tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate (PubChem CID 170939046) has the molecular formula C17H33NO4Si and a molecular weight of 343.54 g/mol. Its IUPAC name is tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate
PubChem CID170939046
Molecular FormulaC17H33NO4Si
Molecular Weight343.54 g/mol
Exact Mass343.22
IUPAC Nametert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C=O
InChIInChI=1S/C17H33NO4Si/c1-16(2,3)21-15(20)18-10-9-14(11-13(18)12-19)22-23(7,8)17(4,5)6/h12-14H,9-11H2,1-8H3/t13-,14-/m0/s1
InChIKeyGPOYMEYCJJKXFS-KBPBESRZSA-N
XLogP3.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate
CID 174195504
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 174257287
tert-butyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-hydroxyprop-1-enyl]piperidine-1-carboxylate
CID 11111484
ditert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 101367108
tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 170939015
tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 174050124
tert-butyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 16732142
tert-butyl (2R,4S)-2-formyl-4-methoxypyrrolidine-1-carboxylate
CID 124652560
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-nitroethenyl]pyrrolidine-1-carboxylate
CID 19918234
tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 178119932
tert-butyl (2S,4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 45026939
tert-butyl (2S)-2-formyl-4-methylpyrrolidine-1-carboxylate
CID 86679299

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate (CID 170939046) is tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C=O.
What is the InChIKey of tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate?
The InChIKey is GPOYMEYCJJKXFS-KBPBESRZSA-N. The full InChI is InChI=1S/C17H33NO4Si/c1-16(2,3)21-15(20)18-10-9-14(11-13(18)12-19)22-23(7,8)17(4,5)6/h12-14H,9-11H2,1-8H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate?
tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate has a molecular weight of 343.54 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate is sourced from PubChem (CID 170939046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).