1-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone

C13H23NO — CID 71525966

IUPAC1-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CC(C)=C(C)C
InChIInChI=1S/C13H23NO/c1-10(2)11(3)9-13-7-5-6-8-14(13)12(4)15/h13H,5-9H2,1-4H3
InChIKeyBRYJNYHFKRIDNH-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.13
Rot. Bonds2

About 1-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone

1-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone (PubChem CID 71525966) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone
PubChem CID71525966
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CC(C)=C(C)C
InChIInChI=1S/C13H23NO/c1-10(2)11(3)9-13-7-5-6-8-14(13)12(4)15/h13H,5-9H2,1-4H3
InChIKeyBRYJNYHFKRIDNH-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone 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-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone (CID 71525966) is 1-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone is CC(=O)N1CCCCC1CC(C)=C(C)C.
What is the InChIKey of 1-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone?
The InChIKey is BRYJNYHFKRIDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)11(3)9-13-7-5-6-8-14(13)12(4)15/h13H,5-9H2,1-4H3.
What are the key properties of 1-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone?
1-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone has a molecular weight of 209.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylbut-2-enyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71525966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).