dibutyl piperidine-2,6-dicarboxylate;hydrochloride

C15H28ClNO4 — CID 6602935

IUPACdibutyl piperidine-2,6-dicarboxylate;hydrochloride
SMILESCCCCOC(=O)C1CCCC(C(=O)OCCCC)N1.Cl
InChIInChI=1S/C15H27NO4.ClH/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;1H
InChIKeyCJHGZBWAXHVVNC-UHFFFAOYSA-N
MW321.85 g/mol
LogP2.61
Rot. Bonds8

About dibutyl piperidine-2,6-dicarboxylate;hydrochloride

dibutyl piperidine-2,6-dicarboxylate;hydrochloride (PubChem CID 6602935) has the molecular formula C15H28ClNO4 and a molecular weight of 321.85 g/mol. Its IUPAC name is dibutyl piperidine-2,6-dicarboxylate;hydrochloride.

Molecular Properties

Compound Namedibutyl piperidine-2,6-dicarboxylate;hydrochloride
PubChem CID6602935
Molecular FormulaC15H28ClNO4
Molecular Weight321.85 g/mol
Exact Mass321.17
IUPAC Namedibutyl piperidine-2,6-dicarboxylate;hydrochloride
SMILESCCCCOC(=O)C1CCCC(C(=O)OCCCC)N1.Cl
InChIInChI=1S/C15H27NO4.ClH/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;1H
InChIKeyCJHGZBWAXHVVNC-UHFFFAOYSA-N
XLogP2.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.61
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;hydrochloride?
The IUPAC name of dibutyl piperidine-2,6-dicarboxylate;hydrochloride (CID 6602935) is dibutyl piperidine-2,6-dicarboxylate;hydrochloride.
What is the SMILES notation for dibutyl piperidine-2,6-dicarboxylate;hydrochloride?
The canonical SMILES for dibutyl piperidine-2,6-dicarboxylate;hydrochloride is CCCCOC(=O)C1CCCC(C(=O)OCCCC)N1.Cl.
What is the InChIKey of dibutyl piperidine-2,6-dicarboxylate;hydrochloride?
The InChIKey is CJHGZBWAXHVVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4.ClH/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;1H.
What are the key properties of dibutyl piperidine-2,6-dicarboxylate;hydrochloride?
dibutyl piperidine-2,6-dicarboxylate;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 2.61, 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;hydrochloride is sourced from PubChem (CID 6602935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).