4-O-ethyl 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate

C13H23NO4 — CID 21470003

IUPAC4-O-ethyl 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C13H23NO4/c1-4-17-12(15)11-5-7-14(8-6-11)13(16)18-9-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyWIPKODJYUYCDAN-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.05
Rot. Bonds4

About 4-O-ethyl 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate

4-O-ethyl 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate (PubChem CID 21470003) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-O-ethyl 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate
PubChem CID21470003
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name4-O-ethyl 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)OCC(C)C)CC1
InChIInChI=1S/C13H23NO4/c1-4-17-12(15)11-5-7-14(8-6-11)13(16)18-9-10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyWIPKODJYUYCDAN-UHFFFAOYSA-N
XLogP2.05
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.05
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-(2-methylpropyl) piperidine-1,4-dicarboxylate?
The IUPAC name of 4-O-ethyl 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate (CID 21470003) is 4-O-ethyl 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate?
The canonical SMILES for 4-O-ethyl 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate is CCOC(=O)C1CCN(C(=O)OCC(C)C)CC1.
What is the InChIKey of 4-O-ethyl 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate?
The InChIKey is WIPKODJYUYCDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-4-17-12(15)11-5-7-14(8-6-11)13(16)18-9-10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-O-ethyl 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate?
4-O-ethyl 1-O-(2-methylpropyl) piperidine-1,4-dicarboxylate has a molecular weight of 257.33 g/mol, XLogP of 2.05, 4 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-(2-methylpropyl) piperidine-1,4-dicarboxylate is sourced from PubChem (CID 21470003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).