dimethyl piperidine-2,4-dicarboxylate

C9H15NO4 — CID 13413091

IUPACdimethyl piperidine-2,4-dicarboxylate
SMILESCOC(=O)C1CCNC(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
InChIKeyGDJHLIFSMMYQEN-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.30
Rot. Bonds2

About dimethyl piperidine-2,4-dicarboxylate

dimethyl piperidine-2,4-dicarboxylate (PubChem CID 13413091) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is dimethyl piperidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl piperidine-2,4-dicarboxylate
PubChem CID13413091
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namedimethyl piperidine-2,4-dicarboxylate
SMILESCOC(=O)C1CCNC(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
InChIKeyGDJHLIFSMMYQEN-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of dimethyl piperidine-2,4-dicarboxylate?
The IUPAC name of dimethyl piperidine-2,4-dicarboxylate (CID 13413091) is dimethyl piperidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl piperidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl piperidine-2,4-dicarboxylate is COC(=O)C1CCNC(C(=O)OC)C1.
What is the InChIKey of dimethyl piperidine-2,4-dicarboxylate?
The InChIKey is GDJHLIFSMMYQEN-UHFFFAOYSA-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.
What are the key properties of dimethyl piperidine-2,4-dicarboxylate?
dimethyl 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 piperidine-2,4-dicarboxylate is sourced from PubChem (CID 13413091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).