1,5-ditert-butylpiperidin-3-one

C13H25NO — CID 3863146

IUPAC1,5-ditert-butylpiperidin-3-one
SMILESCC(C)(C)C1CC(=O)CN(C(C)(C)C)C1
InChIInChI=1S/C13H25NO/c1-12(2,3)10-7-11(15)9-14(8-10)13(4,5)6/h10H,7-9H2,1-6H3
InChIKeyYFNMZOIVRPCXIH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds

About 1,5-ditert-butylpiperidin-3-one

1,5-ditert-butylpiperidin-3-one (PubChem CID 3863146) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1,5-ditert-butylpiperidin-3-one.

Molecular Properties

Compound Name1,5-ditert-butylpiperidin-3-one
PubChem CID3863146
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1,5-ditert-butylpiperidin-3-one
SMILESCC(C)(C)C1CC(=O)CN(C(C)(C)C)C1
InChIInChI=1S/C13H25NO/c1-12(2,3)10-7-11(15)9-14(8-10)13(4,5)6/h10H,7-9H2,1-6H3
InChIKeyYFNMZOIVRPCXIH-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-ditert-butylpiperidin-3-one?
The IUPAC name of 1,5-ditert-butylpiperidin-3-one (CID 3863146) is 1,5-ditert-butylpiperidin-3-one.
What is the SMILES notation for 1,5-ditert-butylpiperidin-3-one?
The canonical SMILES for 1,5-ditert-butylpiperidin-3-one is CC(C)(C)C1CC(=O)CN(C(C)(C)C)C1.
What is the InChIKey of 1,5-ditert-butylpiperidin-3-one?
The InChIKey is YFNMZOIVRPCXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2,3)10-7-11(15)9-14(8-10)13(4,5)6/h10H,7-9H2,1-6H3.
What are the key properties of 1,5-ditert-butylpiperidin-3-one?
1,5-ditert-butylpiperidin-3-one has a molecular weight of 211.35 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditert-butylpiperidin-3-one is sourced from PubChem (CID 3863146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).