4-butyl-1-tert-butylpiperidin-2-one

C13H25NO — CID 139951295

IUPAC4-butyl-1-tert-butylpiperidin-2-one
SMILESCCCCC1CCN(C(C)(C)C)C(=O)C1
InChIInChI=1S/C13H25NO/c1-5-6-7-11-8-9-14(12(15)10-11)13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyZPRYRSZXQOQHLY-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.21
Rot. Bonds3

About 4-butyl-1-tert-butylpiperidin-2-one

4-butyl-1-tert-butylpiperidin-2-one (PubChem CID 139951295) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-butyl-1-tert-butylpiperidin-2-one.

Molecular Properties

Compound Name4-butyl-1-tert-butylpiperidin-2-one
PubChem CID139951295
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-butyl-1-tert-butylpiperidin-2-one
SMILESCCCCC1CCN(C(C)(C)C)C(=O)C1
InChIInChI=1S/C13H25NO/c1-5-6-7-11-8-9-14(12(15)10-11)13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyZPRYRSZXQOQHLY-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-tert-butylpiperidin-2-one?
The IUPAC name of 4-butyl-1-tert-butylpiperidin-2-one (CID 139951295) is 4-butyl-1-tert-butylpiperidin-2-one.
What is the SMILES notation for 4-butyl-1-tert-butylpiperidin-2-one?
The canonical SMILES for 4-butyl-1-tert-butylpiperidin-2-one is CCCCC1CCN(C(C)(C)C)C(=O)C1.
What is the InChIKey of 4-butyl-1-tert-butylpiperidin-2-one?
The InChIKey is ZPRYRSZXQOQHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-6-7-11-8-9-14(12(15)10-11)13(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 4-butyl-1-tert-butylpiperidin-2-one?
4-butyl-1-tert-butylpiperidin-2-one has a molecular weight of 211.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-tert-butylpiperidin-2-one is sourced from PubChem (CID 139951295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).