1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one

C13H25NO — CID 58344327

IUPAC1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
SMILESCCC1CCN(CC(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H25NO/c1-5-11-6-8-14(9-7-11)10-12(15)13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyZATDZPOXMOAKHT-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds3

About 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one

1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one (PubChem CID 58344327) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
PubChem CID58344327
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one
SMILESCCC1CCN(CC(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H25NO/c1-5-11-6-8-14(9-7-11)10-12(15)13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyZATDZPOXMOAKHT-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one (CID 58344327) is 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one is CCC1CCN(CC(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one?
The InChIKey is ZATDZPOXMOAKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-11-6-8-14(9-7-11)10-12(15)13(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one?
1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one has a molecular weight of 211.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 58344327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).