diethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate

C15H27NO6 — CID 139563478

IUPACdiethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCC(OC(C)OCC)CN1
InChIInChI=1S/C15H27NO6/c1-5-19-11(4)22-12-8-9-15(16-10-12,13(17)20-6-2)14(18)21-7-3/h11-12,16H,5-10H2,1-4H3
InChIKeyKJUDRCSXDIPQBO-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.00
Rot. Bonds8

About diethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate

diethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate (PubChem CID 139563478) has the molecular formula C15H27NO6 and a molecular weight of 317.38 g/mol. Its IUPAC name is diethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate
PubChem CID139563478
Molecular FormulaC15H27NO6
Molecular Weight317.38 g/mol
Exact Mass317.18
IUPAC Namediethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCC(OC(C)OCC)CN1
InChIInChI=1S/C15H27NO6/c1-5-19-11(4)22-12-8-9-15(16-10-12,13(17)20-6-2)14(18)21-7-3/h11-12,16H,5-10H2,1-4H3
InChIKeyKJUDRCSXDIPQBO-UHFFFAOYSA-N
XLogP1.00
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate?
The IUPAC name of diethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate (CID 139563478) is diethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate.
What is the SMILES notation for diethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate?
The canonical SMILES for diethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CCC(OC(C)OCC)CN1.
What is the InChIKey of diethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate?
The InChIKey is KJUDRCSXDIPQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO6/c1-5-19-11(4)22-12-8-9-15(16-10-12,13(17)20-6-2)14(18)21-7-3/h11-12,16H,5-10H2,1-4H3.
What are the key properties of diethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate?
diethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate has a molecular weight of 317.38 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate is sourced from PubChem (CID 139563478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).