2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine

C11H19N — CID 5293335

IUPAC2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine
SMILESC=CCC1(/C=C/C)CCCCN1
InChIInChI=1S/C11H19N/c1-3-7-11(8-4-2)9-5-6-10-12-11/h3-4,8,12H,1,5-7,9-10H2,2H3/b8-4+
InChIKeyWFNRZTJIVDMBJL-XBXARRHUSA-N
MW165.28 g/mol
LogP2.65
Rot. Bonds3

About 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine

2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine (PubChem CID 5293335) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine
PubChem CID5293335
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine
SMILESC=CCC1(/C=C/C)CCCCN1
InChIInChI=1S/C11H19N/c1-3-7-11(8-4-2)9-5-6-10-12-11/h3-4,8,12H,1,5-7,9-10H2,2H3/b8-4+
InChIKeyWFNRZTJIVDMBJL-XBXARRHUSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.65
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-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine?
The IUPAC name of 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine (CID 5293335) is 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine.
What is the SMILES notation for 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine?
The canonical SMILES for 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine is C=CCC1(/C=C/C)CCCCN1.
What is the InChIKey of 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine?
The InChIKey is WFNRZTJIVDMBJL-XBXARRHUSA-N. The full InChI is InChI=1S/C11H19N/c1-3-7-11(8-4-2)9-5-6-10-12-11/h3-4,8,12H,1,5-7,9-10H2,2H3/b8-4+.
What are the key properties of 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine?
2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine has a molecular weight of 165.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine is sourced from PubChem (CID 5293335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).