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

C9H15NO4 — CID 13413092

IUPACdimethyl (2R,4S)-piperidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1CCN[C@@H](C(=O)OC)C1
InChIInChI=1S/C9H15NO4/c1-13-8(11)6-3-4-10-7(5-6)9(12)14-2/h6-7,10H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyGDJHLIFSMMYQEN-NKWVEPMBSA-N
MW201.22 g/mol
LogP-0.30
Rot. Bonds2

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

dimethyl (2R,4S)-piperidine-2,4-dicarboxylate (PubChem CID 13413092) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is dimethyl (2R,4S)-piperidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,4S)-piperidine-2,4-dicarboxylate
PubChem CID13413092
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namedimethyl (2R,4S)-piperidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1CCN[C@@H](C(=O)OC)C1
InChIInChI=1S/C9H15NO4/c1-13-8(11)6-3-4-10-7(5-6)9(12)14-2/h6-7,10H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyGDJHLIFSMMYQEN-NKWVEPMBSA-N
XLogP-0.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4S)-rel-Piperidine-2,4-dicarboxylic acid
CID 13353755
trans-Piperidine-2,4-dicarboxylic acid
CID 13353756
(2S,4S)-piperidine-2,4-dicarboxylic acid
CID 44278261
Methyl 4-methylpiperidine-2-carboxylate
CID 15511834
Methyl 5-methylpiperidine-2-carboxylate
CID 68090723
Methyl 3-methylpiperidine-2-carboxylate hydrochloride
CID 89739579
2,4-Piperidinedicarboxylic acid
CID 135104
Ethyl 4-methylpiperidine-2-carboxylate
CID 15697772
Ethyl (2S,4S)-4-Methylpipecolate
CID 15697773
Methyl 4-methylpiperidine-2-carboxylate hydrochloride
CID 75422084
Ethyl (2R,4R)-4-methyl-2-piperidinecarboxylate
CID 10313307
rel-Ethyl (2R,4S)-4-methyl-2-piperidinecarboxylate
CID 15697774

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,4S)-piperidine-2,4-dicarboxylate?
The IUPAC name of dimethyl (2R,4S)-piperidine-2,4-dicarboxylate (CID 13413092) is dimethyl (2R,4S)-piperidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl (2R,4S)-piperidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl (2R,4S)-piperidine-2,4-dicarboxylate is COC(=O)[C@H]1CCN[C@@H](C(=O)OC)C1.
What is the InChIKey of dimethyl (2R,4S)-piperidine-2,4-dicarboxylate?
The InChIKey is GDJHLIFSMMYQEN-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H15NO4/c1-13-8(11)6-3-4-10-7(5-6)9(12)14-2/h6-7,10H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of dimethyl (2R,4S)-piperidine-2,4-dicarboxylate?
dimethyl (2R,4S)-piperidine-2,4-dicarboxylate has a molecular weight of 201.22 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,4S)-piperidine-2,4-dicarboxylate is sourced from PubChem (CID 13413092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).