diethyl (2R,4S)-piperidine-2,4-dicarboxylate

C11H19NO4 — CID 95970372

IUPACdiethyl (2R,4S)-piperidine-2,4-dicarboxylate
SMILESCCOC(=O)[C@H]1CCN[C@@H](C(=O)OCC)C1
InChIInChI=1S/C11H19NO4/c1-3-15-10(13)8-5-6-12-9(7-8)11(14)16-4-2/h8-9,12H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyJLXRBGYOTRAJHY-DTWKUNHWSA-N
MW229.28 g/mol
LogP0.48
Rot. Bonds4

About diethyl (2R,4S)-piperidine-2,4-dicarboxylate

diethyl (2R,4S)-piperidine-2,4-dicarboxylate (PubChem CID 95970372) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is diethyl (2R,4S)-piperidine-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl (2R,4S)-piperidine-2,4-dicarboxylate
PubChem CID95970372
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namediethyl (2R,4S)-piperidine-2,4-dicarboxylate
SMILESCCOC(=O)[C@H]1CCN[C@@H](C(=O)OCC)C1
InChIInChI=1S/C11H19NO4/c1-3-15-10(13)8-5-6-12-9(7-8)11(14)16-4-2/h8-9,12H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyJLXRBGYOTRAJHY-DTWKUNHWSA-N
XLogP0.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate
CID 165145297
ethyl (2S,4R)-4-(diethoxyphosphorylmethyl)piperidine-2-carboxylate
CID 54250756
4-O-methyl 2-O-(2-trimethylsilylethyl) (2S,4R)-piperidine-2,4-dicarboxylate
CID 11087431
ethyl piperazine-2-carboxylate
CID 10633257
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
diethyl (4R,4aR,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4,6-dicarboxylate
CID 125492924
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
ethyl 4-methylpiperazine-2-carboxylate
CID 12558522
ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate
CID 59628502
ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
CID 42614258
ethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate
CID 130736595

Frequently Asked Questions

What is the IUPAC name of diethyl (2R,4S)-piperidine-2,4-dicarboxylate?
The IUPAC name of diethyl (2R,4S)-piperidine-2,4-dicarboxylate (CID 95970372) is diethyl (2R,4S)-piperidine-2,4-dicarboxylate.
What is the SMILES notation for diethyl (2R,4S)-piperidine-2,4-dicarboxylate?
The canonical SMILES for diethyl (2R,4S)-piperidine-2,4-dicarboxylate is CCOC(=O)[C@H]1CCN[C@@H](C(=O)OCC)C1.
What is the InChIKey of diethyl (2R,4S)-piperidine-2,4-dicarboxylate?
The InChIKey is JLXRBGYOTRAJHY-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-15-10(13)8-5-6-12-9(7-8)11(14)16-4-2/h8-9,12H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of diethyl (2R,4S)-piperidine-2,4-dicarboxylate?
diethyl (2R,4S)-piperidine-2,4-dicarboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R,4S)-piperidine-2,4-dicarboxylate is sourced from PubChem (CID 95970372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).