1-methyl-4-(2-methylidenebut-3-enyl)piperidine

C11H19N — CID 90407248

IUPAC1-methyl-4-(2-methylidenebut-3-enyl)piperidine
SMILESC=CC(=C)CC1CCN(C)CC1
InChIInChI=1S/C11H19N/c1-4-10(2)9-11-5-7-12(3)8-6-11/h4,11H,1-2,5-9H2,3H3
InChIKeyGVDHMYCBQAHIQH-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.46
Rot. Bonds3

About 1-methyl-4-(2-methylidenebut-3-enyl)piperidine

1-methyl-4-(2-methylidenebut-3-enyl)piperidine (PubChem CID 90407248) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-methyl-4-(2-methylidenebut-3-enyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(2-methylidenebut-3-enyl)piperidine
PubChem CID90407248
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-methyl-4-(2-methylidenebut-3-enyl)piperidine
SMILESC=CC(=C)CC1CCN(C)CC1
InChIInChI=1S/C11H19N/c1-4-10(2)9-11-5-7-12(3)8-6-11/h4,11H,1-2,5-9H2,3H3
InChIKeyGVDHMYCBQAHIQH-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(2-methylidenebut-3-enyl)piperidine 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-methyl-4-(2-methylidenebut-3-enyl)piperidine?
The IUPAC name of 1-methyl-4-(2-methylidenebut-3-enyl)piperidine (CID 90407248) is 1-methyl-4-(2-methylidenebut-3-enyl)piperidine.
What is the SMILES notation for 1-methyl-4-(2-methylidenebut-3-enyl)piperidine?
The canonical SMILES for 1-methyl-4-(2-methylidenebut-3-enyl)piperidine is C=CC(=C)CC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(2-methylidenebut-3-enyl)piperidine?
The InChIKey is GVDHMYCBQAHIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-10(2)9-11-5-7-12(3)8-6-11/h4,11H,1-2,5-9H2,3H3.
What are the key properties of 1-methyl-4-(2-methylidenebut-3-enyl)piperidine?
1-methyl-4-(2-methylidenebut-3-enyl)piperidine has a molecular weight of 165.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylidenebut-3-enyl)piperidine is sourced from PubChem (CID 90407248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).