1-[(1E,3E)-hexa-1,3-dienyl]piperidine

C11H19N — CID 15665730

IUPAC1-[(1E,3E)-hexa-1,3-dienyl]piperidine
SMILESCC/C=C/C=C/N1CCCCC1
InChIInChI=1S/C11H19N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h3-4,6,9H,2,5,7-8,10-11H2,1H3/b4-3+,9-6+
InChIKeyMZJWZEJIDZICJT-JAFPNSLJSA-N
MW165.28 g/mol
LogP2.95
Rot. Bonds3

About 1-[(1E,3E)-hexa-1,3-dienyl]piperidine

1-[(1E,3E)-hexa-1,3-dienyl]piperidine (PubChem CID 15665730) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-[(1E,3E)-hexa-1,3-dienyl]piperidine.

Molecular Properties

Compound Name1-[(1E,3E)-hexa-1,3-dienyl]piperidine
PubChem CID15665730
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-[(1E,3E)-hexa-1,3-dienyl]piperidine
SMILESCC/C=C/C=C/N1CCCCC1
InChIInChI=1S/C11H19N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h3-4,6,9H,2,5,7-8,10-11H2,1H3/b4-3+,9-6+
InChIKeyMZJWZEJIDZICJT-JAFPNSLJSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3E)-hexa-1,3-dienyl]piperidine?
The IUPAC name of 1-[(1E,3E)-hexa-1,3-dienyl]piperidine (CID 15665730) is 1-[(1E,3E)-hexa-1,3-dienyl]piperidine.
What is the SMILES notation for 1-[(1E,3E)-hexa-1,3-dienyl]piperidine?
The canonical SMILES for 1-[(1E,3E)-hexa-1,3-dienyl]piperidine is CC/C=C/C=C/N1CCCCC1.
What is the InChIKey of 1-[(1E,3E)-hexa-1,3-dienyl]piperidine?
The InChIKey is MZJWZEJIDZICJT-JAFPNSLJSA-N. The full InChI is InChI=1S/C11H19N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h3-4,6,9H,2,5,7-8,10-11H2,1H3/b4-3+,9-6+.
What are the key properties of 1-[(1E,3E)-hexa-1,3-dienyl]piperidine?
1-[(1E,3E)-hexa-1,3-dienyl]piperidine has a molecular weight of 165.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3E)-hexa-1,3-dienyl]piperidine is sourced from PubChem (CID 15665730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).