2,6-ditert-butylpiperidin-4-one

C13H25NO — CID 59253684

IUPAC2,6-ditert-butylpiperidin-4-one
SMILESCC(C)(C)C1CC(=O)CC(C(C)(C)C)N1
InChIInChI=1S/C13H25NO/c1-12(2,3)10-7-9(15)8-11(14-10)13(4,5)6/h10-11,14H,7-8H2,1-6H3
InChIKeyHFFPAGMBINLHLT-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.77
Rot. Bonds

About 2,6-ditert-butylpiperidin-4-one

2,6-ditert-butylpiperidin-4-one (PubChem CID 59253684) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,6-ditert-butylpiperidin-4-one.

Molecular Properties

Compound Name2,6-ditert-butylpiperidin-4-one
PubChem CID59253684
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,6-ditert-butylpiperidin-4-one
SMILESCC(C)(C)C1CC(=O)CC(C(C)(C)C)N1
InChIInChI=1S/C13H25NO/c1-12(2,3)10-7-9(15)8-11(14-10)13(4,5)6/h10-11,14H,7-8H2,1-6H3
InChIKeyHFFPAGMBINLHLT-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butylpiperidin-4-one?
The IUPAC name of 2,6-ditert-butylpiperidin-4-one (CID 59253684) is 2,6-ditert-butylpiperidin-4-one.
What is the SMILES notation for 2,6-ditert-butylpiperidin-4-one?
The canonical SMILES for 2,6-ditert-butylpiperidin-4-one is CC(C)(C)C1CC(=O)CC(C(C)(C)C)N1.
What is the InChIKey of 2,6-ditert-butylpiperidin-4-one?
The InChIKey is HFFPAGMBINLHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,3)10-7-9(15)8-11(14-10)13(4,5)6/h10-11,14H,7-8H2,1-6H3.
What are the key properties of 2,6-ditert-butylpiperidin-4-one?
2,6-ditert-butylpiperidin-4-one has a molecular weight of 211.35 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butylpiperidin-4-one is sourced from PubChem (CID 59253684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).