2-(5-methylhex-4-enyl)piperidin-4-one

C12H21NO — CID 134835350

IUPAC2-(5-methylhex-4-enyl)piperidin-4-one
SMILESCC(C)=CCCCC1CC(=O)CCN1
InChIInChI=1S/C12H21NO/c1-10(2)5-3-4-6-11-9-12(14)7-8-13-11/h5,11,13H,3-4,6-9H2,1-2H3
InChIKeyNVQCSIUPJAIUQX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.44
Rot. Bonds4

About 2-(5-methylhex-4-enyl)piperidin-4-one

2-(5-methylhex-4-enyl)piperidin-4-one (PubChem CID 134835350) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(5-methylhex-4-enyl)piperidin-4-one.

Molecular Properties

Compound Name2-(5-methylhex-4-enyl)piperidin-4-one
PubChem CID134835350
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(5-methylhex-4-enyl)piperidin-4-one
SMILESCC(C)=CCCCC1CC(=O)CCN1
InChIInChI=1S/C12H21NO/c1-10(2)5-3-4-6-11-9-12(14)7-8-13-11/h5,11,13H,3-4,6-9H2,1-2H3
InChIKeyNVQCSIUPJAIUQX-UHFFFAOYSA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-methylhex-4-enyl)piperidin-4-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 2-(5-methylhex-4-enyl)piperidin-4-one?
The IUPAC name of 2-(5-methylhex-4-enyl)piperidin-4-one (CID 134835350) is 2-(5-methylhex-4-enyl)piperidin-4-one.
What is the SMILES notation for 2-(5-methylhex-4-enyl)piperidin-4-one?
The canonical SMILES for 2-(5-methylhex-4-enyl)piperidin-4-one is CC(C)=CCCCC1CC(=O)CCN1.
What is the InChIKey of 2-(5-methylhex-4-enyl)piperidin-4-one?
The InChIKey is NVQCSIUPJAIUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)5-3-4-6-11-9-12(14)7-8-13-11/h5,11,13H,3-4,6-9H2,1-2H3.
What are the key properties of 2-(5-methylhex-4-enyl)piperidin-4-one?
2-(5-methylhex-4-enyl)piperidin-4-one has a molecular weight of 195.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhex-4-enyl)piperidin-4-one is sourced from PubChem (CID 134835350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).