2-ethenylpiperidine

C7H13N — CID 5246387

IUPAC2-ethenylpiperidine
SMILESC=CC1CCCCN1
InChIInChI=1S/C7H13N/c1-2-7-5-3-4-6-8-7/h2,7-8H,1,3-6H2
InChIKeyTUBVZEPYQZWWNG-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.31
Rot. Bonds1

About 2-ethenylpiperidine

2-ethenylpiperidine (PubChem CID 5246387) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2-ethenylpiperidine.

Molecular Properties

Compound Name2-ethenylpiperidine
PubChem CID5246387
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2-ethenylpiperidine
SMILESC=CC1CCCCN1
InChIInChI=1S/C7H13N/c1-2-7-5-3-4-6-8-7/h2,7-8H,1,3-6H2
InChIKeyTUBVZEPYQZWWNG-UHFFFAOYSA-N
XLogP1.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.31
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-ethenylpiperidine?
The IUPAC name of 2-ethenylpiperidine (CID 5246387) is 2-ethenylpiperidine.
What is the SMILES notation for 2-ethenylpiperidine?
The canonical SMILES for 2-ethenylpiperidine is C=CC1CCCCN1.
What is the InChIKey of 2-ethenylpiperidine?
The InChIKey is TUBVZEPYQZWWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-7-5-3-4-6-8-7/h2,7-8H,1,3-6H2.
What are the key properties of 2-ethenylpiperidine?
2-ethenylpiperidine has a molecular weight of 111.19 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpiperidine is sourced from PubChem (CID 5246387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).