2-ethenyl-4,6-dimethylpiperidine

C9H17N — CID 89207529

IUPAC2-ethenyl-4,6-dimethylpiperidine
SMILESC=CC1CC(C)CC(C)N1
InChIInChI=1S/C9H17N/c1-4-9-6-7(2)5-8(3)10-9/h4,7-10H,1,5-6H2,2-3H3
InChIKeyRWSVIWQHRPUYHM-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds1

About 2-ethenyl-4,6-dimethylpiperidine

2-ethenyl-4,6-dimethylpiperidine (PubChem CID 89207529) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-ethenyl-4,6-dimethylpiperidine.

Molecular Properties

Compound Name2-ethenyl-4,6-dimethylpiperidine
PubChem CID89207529
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-ethenyl-4,6-dimethylpiperidine
SMILESC=CC1CC(C)CC(C)N1
InChIInChI=1S/C9H17N/c1-4-9-6-7(2)5-8(3)10-9/h4,7-10H,1,5-6H2,2-3H3
InChIKeyRWSVIWQHRPUYHM-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,6-dimethylpiperidine?
The IUPAC name of 2-ethenyl-4,6-dimethylpiperidine (CID 89207529) is 2-ethenyl-4,6-dimethylpiperidine.
What is the SMILES notation for 2-ethenyl-4,6-dimethylpiperidine?
The canonical SMILES for 2-ethenyl-4,6-dimethylpiperidine is C=CC1CC(C)CC(C)N1.
What is the InChIKey of 2-ethenyl-4,6-dimethylpiperidine?
The InChIKey is RWSVIWQHRPUYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-9-6-7(2)5-8(3)10-9/h4,7-10H,1,5-6H2,2-3H3.
What are the key properties of 2-ethenyl-4,6-dimethylpiperidine?
2-ethenyl-4,6-dimethylpiperidine has a molecular weight of 139.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,6-dimethylpiperidine is sourced from PubChem (CID 89207529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).