4-O-ethyl 1-O-methyl piperidine-1,4-dicarboxylate

C10H17NO4 — CID 16641058

IUPAC4-O-ethyl 1-O-methyl piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OC)CC1
InChIInChI=1S/C10H17NO4/c1-3-15-9(12)8-4-6-11(7-5-8)10(13)14-2/h8H,3-7H2,1-2H3
InChIKeyTWULIESUCDGNSQ-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.03
Rot. Bonds2

About 4-O-ethyl 1-O-methyl piperidine-1,4-dicarboxylate

4-O-ethyl 1-O-methyl piperidine-1,4-dicarboxylate (PubChem CID 16641058) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-O-ethyl 1-O-methyl piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 1-O-methyl piperidine-1,4-dicarboxylate
PubChem CID16641058
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-O-ethyl 1-O-methyl piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OC)CC1
InChIInChI=1S/C10H17NO4/c1-3-15-9(12)8-4-6-11(7-5-8)10(13)14-2/h8H,3-7H2,1-2H3
InChIKeyTWULIESUCDGNSQ-UHFFFAOYSA-N
XLogP1.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 1-O-methyl piperidine-1,4-dicarboxylate?
The IUPAC name of 4-O-ethyl 1-O-methyl piperidine-1,4-dicarboxylate (CID 16641058) is 4-O-ethyl 1-O-methyl piperidine-1,4-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 1-O-methyl piperidine-1,4-dicarboxylate?
The canonical SMILES for 4-O-ethyl 1-O-methyl piperidine-1,4-dicarboxylate is CCOC(=O)C1CCN(C(=O)OC)CC1.
What is the InChIKey of 4-O-ethyl 1-O-methyl piperidine-1,4-dicarboxylate?
The InChIKey is TWULIESUCDGNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-15-9(12)8-4-6-11(7-5-8)10(13)14-2/h8H,3-7H2,1-2H3.
What are the key properties of 4-O-ethyl 1-O-methyl piperidine-1,4-dicarboxylate?
4-O-ethyl 1-O-methyl piperidine-1,4-dicarboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 1-O-methyl piperidine-1,4-dicarboxylate is sourced from PubChem (CID 16641058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).