1-hexa-1,3-dienylpiperazine

C10H18N2 — CID 57172120

IUPAC1-hexa-1,3-dienylpiperazine
SMILESCCC=CC=CN1CCNCC1
InChIInChI=1S/C10H18N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h3-5,8,11H,2,6-7,9-10H2,1H3
InChIKeyLWDWGKIRIKLSLF-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.37
Rot. Bonds3

About 1-hexa-1,3-dienylpiperazine

1-hexa-1,3-dienylpiperazine (PubChem CID 57172120) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-hexa-1,3-dienylpiperazine.

Molecular Properties

Compound Name1-hexa-1,3-dienylpiperazine
PubChem CID57172120
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-hexa-1,3-dienylpiperazine
SMILESCCC=CC=CN1CCNCC1
InChIInChI=1S/C10H18N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h3-5,8,11H,2,6-7,9-10H2,1H3
InChIKeyLWDWGKIRIKLSLF-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.37
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-hexa-1,3-dienylpiperazine?
The IUPAC name of 1-hexa-1,3-dienylpiperazine (CID 57172120) is 1-hexa-1,3-dienylpiperazine.
What is the SMILES notation for 1-hexa-1,3-dienylpiperazine?
The canonical SMILES for 1-hexa-1,3-dienylpiperazine is CCC=CC=CN1CCNCC1.
What is the InChIKey of 1-hexa-1,3-dienylpiperazine?
The InChIKey is LWDWGKIRIKLSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h3-5,8,11H,2,6-7,9-10H2,1H3.
What are the key properties of 1-hexa-1,3-dienylpiperazine?
1-hexa-1,3-dienylpiperazine has a molecular weight of 166.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-1,3-dienylpiperazine is sourced from PubChem (CID 57172120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).