1-penta-2,4-dienylpiperazine

C9H16N2 — CID 54045555

IUPAC1-penta-2,4-dienylpiperazine
SMILESC=CC=CCN1CCNCC1
InChIInChI=1S/C9H16N2/c1-2-3-4-7-11-8-5-10-6-9-11/h2-4,10H,1,5-9H2
InChIKeyQKIIXHGAWVKTDC-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.63
Rot. Bonds3

About 1-penta-2,4-dienylpiperazine

1-penta-2,4-dienylpiperazine (PubChem CID 54045555) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-penta-2,4-dienylpiperazine.

Molecular Properties

Compound Name1-penta-2,4-dienylpiperazine
PubChem CID54045555
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-penta-2,4-dienylpiperazine
SMILESC=CC=CCN1CCNCC1
InChIInChI=1S/C9H16N2/c1-2-3-4-7-11-8-5-10-6-9-11/h2-4,10H,1,5-9H2
InChIKeyQKIIXHGAWVKTDC-UHFFFAOYSA-N
XLogP0.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-penta-2,4-dienylpiperazine?
The IUPAC name of 1-penta-2,4-dienylpiperazine (CID 54045555) is 1-penta-2,4-dienylpiperazine.
What is the SMILES notation for 1-penta-2,4-dienylpiperazine?
The canonical SMILES for 1-penta-2,4-dienylpiperazine is C=CC=CCN1CCNCC1.
What is the InChIKey of 1-penta-2,4-dienylpiperazine?
The InChIKey is QKIIXHGAWVKTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-3-4-7-11-8-5-10-6-9-11/h2-4,10H,1,5-9H2.
What are the key properties of 1-penta-2,4-dienylpiperazine?
1-penta-2,4-dienylpiperazine has a molecular weight of 152.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-2,4-dienylpiperazine is sourced from PubChem (CID 54045555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).