2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate

C12H26N2O3Si — CID 91377049

IUPAC2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate
SMILESC[C@]1(O)CN(C(=O)OCC[Si](C)(C)C)CC[C@@H]1N
InChIInChI=1S/C12H26N2O3Si/c1-12(16)9-14(6-5-10(12)13)11(15)17-7-8-18(2,3)4/h10,16H,5-9,13H2,1-4H3/t10-,12-/m0/s1
InChIKeyJYWZAZFCLXKRKG-JQWIXIFHSA-N
MW274.44 g/mol
LogP1.25
Rot. Bonds3

About 2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate

2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate (PubChem CID 91377049) has the molecular formula C12H26N2O3Si and a molecular weight of 274.44 g/mol. Its IUPAC name is 2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate
PubChem CID91377049
Molecular FormulaC12H26N2O3Si
Molecular Weight274.44 g/mol
Exact Mass274.17
IUPAC Name2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate
SMILESC[C@]1(O)CN(C(=O)OCC[Si](C)(C)C)CC[C@@H]1N
InChIInChI=1S/C12H26N2O3Si/c1-12(16)9-14(6-5-10(12)13)11(15)17-7-8-18(2,3)4/h10,16H,5-9,13H2,1-4H3/t10-,12-/m0/s1
InChIKeyJYWZAZFCLXKRKG-JQWIXIFHSA-N
XLogP1.25
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate (CID 91377049) is 2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate is C[C@]1(O)CN(C(=O)OCC[Si](C)(C)C)CC[C@@H]1N.
What is the InChIKey of 2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate?
The InChIKey is JYWZAZFCLXKRKG-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H26N2O3Si/c1-12(16)9-14(6-5-10(12)13)11(15)17-7-8-18(2,3)4/h10,16H,5-9,13H2,1-4H3/t10-,12-/m0/s1.
What are the key properties of 2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate?
2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate has a molecular weight of 274.44 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (3S,4S)-4-amino-3-hydroxy-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 91377049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).