dimethyl piperidine-1,3-dicarboxylate

C9H15NO4 — CID 78919696

IUPACdimethyl piperidine-1,3-dicarboxylate
SMILESCOC(=O)C1CCCN(C(=O)OC)C1
InChIInChI=1S/C9H15NO4/c1-13-8(11)7-4-3-5-10(6-7)9(12)14-2/h7H,3-6H2,1-2H3
InChIKeyOVPHQQWUDSZALI-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.64
Rot. Bonds1

About dimethyl piperidine-1,3-dicarboxylate

dimethyl piperidine-1,3-dicarboxylate (PubChem CID 78919696) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is dimethyl piperidine-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl piperidine-1,3-dicarboxylate
PubChem CID78919696
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namedimethyl piperidine-1,3-dicarboxylate
SMILESCOC(=O)C1CCCN(C(=O)OC)C1
InChIInChI=1S/C9H15NO4/c1-13-8(11)7-4-3-5-10(6-7)9(12)14-2/h7H,3-6H2,1-2H3
InChIKeyOVPHQQWUDSZALI-UHFFFAOYSA-N
XLogP0.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl piperidine-1,3-dicarboxylate?
The IUPAC name of dimethyl piperidine-1,3-dicarboxylate (CID 78919696) is dimethyl piperidine-1,3-dicarboxylate.
What is the SMILES notation for dimethyl piperidine-1,3-dicarboxylate?
The canonical SMILES for dimethyl piperidine-1,3-dicarboxylate is COC(=O)C1CCCN(C(=O)OC)C1.
What is the InChIKey of dimethyl piperidine-1,3-dicarboxylate?
The InChIKey is OVPHQQWUDSZALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-13-8(11)7-4-3-5-10(6-7)9(12)14-2/h7H,3-6H2,1-2H3.
What are the key properties of dimethyl piperidine-1,3-dicarboxylate?
dimethyl piperidine-1,3-dicarboxylate has a molecular weight of 201.22 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl piperidine-1,3-dicarboxylate is sourced from PubChem (CID 78919696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).