1-hexa-1,5-dien-3-ylpiperidine

C11H19N — CID 13153014

IUPAC1-hexa-1,5-dien-3-ylpiperidine
SMILESC=CCC(C=C)N1CCCCC1
InChIInChI=1S/C11H19N/c1-3-8-11(4-2)12-9-6-5-7-10-12/h3-4,11H,1-2,5-10H2
InChIKeyGWUXPBPHQQJOPM-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.60
Rot. Bonds4

About 1-hexa-1,5-dien-3-ylpiperidine

1-hexa-1,5-dien-3-ylpiperidine (PubChem CID 13153014) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-hexa-1,5-dien-3-ylpiperidine.

Molecular Properties

Compound Name1-hexa-1,5-dien-3-ylpiperidine
PubChem CID13153014
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-hexa-1,5-dien-3-ylpiperidine
SMILESC=CCC(C=C)N1CCCCC1
InChIInChI=1S/C11H19N/c1-3-8-11(4-2)12-9-6-5-7-10-12/h3-4,11H,1-2,5-10H2
InChIKeyGWUXPBPHQQJOPM-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-hexa-1,5-dien-3-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hexa-1,5-dien-3-ylpiperidine?
The IUPAC name of 1-hexa-1,5-dien-3-ylpiperidine (CID 13153014) is 1-hexa-1,5-dien-3-ylpiperidine.
What is the SMILES notation for 1-hexa-1,5-dien-3-ylpiperidine?
The canonical SMILES for 1-hexa-1,5-dien-3-ylpiperidine is C=CCC(C=C)N1CCCCC1.
What is the InChIKey of 1-hexa-1,5-dien-3-ylpiperidine?
The InChIKey is GWUXPBPHQQJOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-8-11(4-2)12-9-6-5-7-10-12/h3-4,11H,1-2,5-10H2.
What are the key properties of 1-hexa-1,5-dien-3-ylpiperidine?
1-hexa-1,5-dien-3-ylpiperidine has a molecular weight of 165.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-1,5-dien-3-ylpiperidine is sourced from PubChem (CID 13153014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).