dibutyl piperidine-2,6-dicarboxylate

C15H27NO4 — CID 3238571

IUPACdibutyl piperidine-2,6-dicarboxylate
SMILESCCCCOC(=O)C1CCCC(C(=O)OCCCC)N1
InChIInChI=1S/C15H27NO4/c1-3-5-10-19-14(17)12-8-7-9-13(16-12)15(18)20-11-6-4-2/h12-13,16H,3-11H2,1-2H3
InChIKeyGYJOBKKWZQDYIT-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.18
Rot. Bonds8

About dibutyl piperidine-2,6-dicarboxylate

dibutyl piperidine-2,6-dicarboxylate (PubChem CID 3238571) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is dibutyl piperidine-2,6-dicarboxylate.

Molecular Properties

Compound Namedibutyl piperidine-2,6-dicarboxylate
PubChem CID3238571
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namedibutyl piperidine-2,6-dicarboxylate
SMILESCCCCOC(=O)C1CCCC(C(=O)OCCCC)N1
InChIInChI=1S/C15H27NO4/c1-3-5-10-19-14(17)12-8-7-9-13(16-12)15(18)20-11-6-4-2/h12-13,16H,3-11H2,1-2H3
InChIKeyGYJOBKKWZQDYIT-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-2,6-dicarboxylate?
The IUPAC name of dibutyl piperidine-2,6-dicarboxylate (CID 3238571) is dibutyl piperidine-2,6-dicarboxylate.
What is the SMILES notation for dibutyl piperidine-2,6-dicarboxylate?
The canonical SMILES for dibutyl piperidine-2,6-dicarboxylate is CCCCOC(=O)C1CCCC(C(=O)OCCCC)N1.
What is the InChIKey of dibutyl piperidine-2,6-dicarboxylate?
The InChIKey is GYJOBKKWZQDYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-3-5-10-19-14(17)12-8-7-9-13(16-12)15(18)20-11-6-4-2/h12-13,16H,3-11H2,1-2H3.
What are the key properties of dibutyl piperidine-2,6-dicarboxylate?
dibutyl piperidine-2,6-dicarboxylate has a molecular weight of 285.38 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl piperidine-2,6-dicarboxylate is sourced from PubChem (CID 3238571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).