4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate

C13H25NO4Si — CID 11087431

IUPAC4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate
SMILESCOC(=O)[C@@H]1CCN[C@H](C(=O)OCC[Si](C)(C)C)C1
InChIInChI=1S/C13H25NO4Si/c1-17-12(15)10-5-6-14-11(9-10)13(16)18-7-8-19(2,3)4/h10-11,14H,5-9H2,1-4H3/t10-,11+/m1/s1
InChIKeyXZTKQWMENNMQIL-MNOVXSKESA-N
MW287.43 g/mol
LogP1.41
Rot. Bonds5

About 4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate

4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate (PubChem CID 11087431) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate.

Molecular Properties

Compound Name4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate
PubChem CID11087431
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate
SMILESCOC(=O)[C@@H]1CCN[C@H](C(=O)OCC[Si](C)(C)C)C1
InChIInChI=1S/C13H25NO4Si/c1-17-12(15)10-5-6-14-11(9-10)13(16)18-7-8-19(2,3)4/h10-11,14H,5-9H2,1-4H3/t10-,11+/m1/s1
InChIKeyXZTKQWMENNMQIL-MNOVXSKESA-N
XLogP1.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethyl piperidine-2,4-dicarboxylate
CID 13413091
cis-Dimethyl piperidine-2,4-dicarboxylate
CID 13413092
Ethyl 4-(hydroxymethyl)-piperidine-2-carboxylate
CID 19757810
2,4-Diethyl piperidine-2,4-dicarboxylate
CID 21186556
(2R,4R)-piperidine-2,4-dicarboxylic acid 2-tert-butyl ester 4-methyl ester
CID 54437399
2-O-tert-butyl 4-O-methyl (2S,4S)-piperidine-2,4-dicarboxylate
CID 69813614
2-O-tert-butyl 4-O-methyl piperidine-2,4-dicarboxylate
CID 76126311
Dipropan-2-yl piperidine-2,4-dicarboxylate
CID 123294392
2-[(2-Methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 140993269
(2R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 141002082
(2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 141287520
2-(Methoxycarbonyl)piperidine-4-carboxylic acid
CID 142508515

Frequently Asked Questions

What is the IUPAC name of 4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate?
The IUPAC name of 4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate (CID 11087431) is 4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate.
What is the SMILES notation for 4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate?
The canonical SMILES for 4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate is COC(=O)[C@@H]1CCN[C@H](C(=O)OCC[Si](C)(C)C)C1.
What is the InChIKey of 4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate?
The InChIKey is XZTKQWMENNMQIL-MNOVXSKESA-N. The full InChI is InChI=1S/C13H25NO4Si/c1-17-12(15)10-5-6-14-11(9-10)13(16)18-7-8-19(2,3)4/h10-11,14H,5-9H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of 4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate?
4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate has a molecular weight of 287.43 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate is sourced from PubChem (CID 11087431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).