dibutyl piperidine-1,4-dicarboxylate

C15H27NO4 — CID 68735722

IUPACdibutyl piperidine-1,4-dicarboxylate
SMILESCCCCOC(=O)C1CCN(C(=O)OCCCC)CC1
InChIInChI=1S/C15H27NO4/c1-3-5-11-19-14(17)13-7-9-16(10-8-13)15(18)20-12-6-4-2/h13H,3-12H2,1-2H3
InChIKeyWKLOYJBELNGJNJ-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.98
Rot. Bonds7

About dibutyl piperidine-1,4-dicarboxylate

dibutyl piperidine-1,4-dicarboxylate (PubChem CID 68735722) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is dibutyl piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Namedibutyl piperidine-1,4-dicarboxylate
PubChem CID68735722
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namedibutyl piperidine-1,4-dicarboxylate
SMILESCCCCOC(=O)C1CCN(C(=O)OCCCC)CC1
InChIInChI=1S/C15H27NO4/c1-3-5-11-19-14(17)13-7-9-16(10-8-13)15(18)20-12-6-4-2/h13H,3-12H2,1-2H3
InChIKeyWKLOYJBELNGJNJ-UHFFFAOYSA-N
XLogP2.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dibutyl piperidine-1,4-dicarboxylate?
The IUPAC name of dibutyl piperidine-1,4-dicarboxylate (CID 68735722) is dibutyl piperidine-1,4-dicarboxylate.
What is the SMILES notation for dibutyl piperidine-1,4-dicarboxylate?
The canonical SMILES for dibutyl piperidine-1,4-dicarboxylate is CCCCOC(=O)C1CCN(C(=O)OCCCC)CC1.
What is the InChIKey of dibutyl piperidine-1,4-dicarboxylate?
The InChIKey is WKLOYJBELNGJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-3-5-11-19-14(17)13-7-9-16(10-8-13)15(18)20-12-6-4-2/h13H,3-12H2,1-2H3.
What are the key properties of dibutyl piperidine-1,4-dicarboxylate?
dibutyl piperidine-1,4-dicarboxylate has a molecular weight of 285.38 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl piperidine-1,4-dicarboxylate is sourced from PubChem (CID 68735722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).