1,5-dibutylpiperidin-2-one

C13H25NO — CID 139951277

IUPAC1,5-dibutylpiperidin-2-one
SMILESCCCCC1CCC(=O)N(CCCC)C1
InChIInChI=1S/C13H25NO/c1-3-5-7-12-8-9-13(15)14(11-12)10-6-4-2/h12H,3-11H2,1-2H3
InChIKeyXQLWSCCPGLTVQT-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.22
Rot. Bonds6

About 1,5-dibutylpiperidin-2-one

1,5-dibutylpiperidin-2-one (PubChem CID 139951277) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1,5-dibutylpiperidin-2-one.

Molecular Properties

Compound Name1,5-dibutylpiperidin-2-one
PubChem CID139951277
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1,5-dibutylpiperidin-2-one
SMILESCCCCC1CCC(=O)N(CCCC)C1
InChIInChI=1S/C13H25NO/c1-3-5-7-12-8-9-13(15)14(11-12)10-6-4-2/h12H,3-11H2,1-2H3
InChIKeyXQLWSCCPGLTVQT-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dibutylpiperidin-2-one?
The IUPAC name of 1,5-dibutylpiperidin-2-one (CID 139951277) is 1,5-dibutylpiperidin-2-one.
What is the SMILES notation for 1,5-dibutylpiperidin-2-one?
The canonical SMILES for 1,5-dibutylpiperidin-2-one is CCCCC1CCC(=O)N(CCCC)C1.
What is the InChIKey of 1,5-dibutylpiperidin-2-one?
The InChIKey is XQLWSCCPGLTVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-7-12-8-9-13(15)14(11-12)10-6-4-2/h12H,3-11H2,1-2H3.
What are the key properties of 1,5-dibutylpiperidin-2-one?
1,5-dibutylpiperidin-2-one has a molecular weight of 211.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibutylpiperidin-2-one is sourced from PubChem (CID 139951277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).