2-hexa-2,4-dienylpiperidine

C11H19N — CID 54381021

IUPAC2-hexa-2,4-dienylpiperidine
SMILESCC=CC=CCC1CCCCN1
InChIInChI=1S/C11H19N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h2-5,11-12H,6-10H2,1H3
InChIKeyFLBHNYUKIZILFH-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.65
Rot. Bonds3

About 2-hexa-2,4-dienylpiperidine

2-hexa-2,4-dienylpiperidine (PubChem CID 54381021) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-hexa-2,4-dienylpiperidine.

Molecular Properties

Compound Name2-hexa-2,4-dienylpiperidine
PubChem CID54381021
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-hexa-2,4-dienylpiperidine
SMILESCC=CC=CCC1CCCCN1
InChIInChI=1S/C11H19N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h2-5,11-12H,6-10H2,1H3
InChIKeyFLBHNYUKIZILFH-UHFFFAOYSA-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hexa-2,4-dienylpiperidine?
The IUPAC name of 2-hexa-2,4-dienylpiperidine (CID 54381021) is 2-hexa-2,4-dienylpiperidine.
What is the SMILES notation for 2-hexa-2,4-dienylpiperidine?
The canonical SMILES for 2-hexa-2,4-dienylpiperidine is CC=CC=CCC1CCCCN1.
What is the InChIKey of 2-hexa-2,4-dienylpiperidine?
The InChIKey is FLBHNYUKIZILFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-3-4-5-8-11-9-6-7-10-12-11/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 2-hexa-2,4-dienylpiperidine?
2-hexa-2,4-dienylpiperidine 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-hexa-2,4-dienylpiperidine is sourced from PubChem (CID 54381021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).