1-hexa-2,4-dien-3-ylpiperazine

C10H18N2 — CID 123725509

IUPAC1-hexa-2,4-dien-3-ylpiperazine
SMILESCC=CC(=CC)N1CCNCC1
InChIInChI=1S/C10H18N2/c1-3-5-10(4-2)12-8-6-11-7-9-12/h3-5,11H,6-9H2,1-2H3
InChIKeyYOPHMTFOIWOJJV-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.37
Rot. Bonds2

About 1-hexa-2,4-dien-3-ylpiperazine

1-hexa-2,4-dien-3-ylpiperazine (PubChem CID 123725509) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-hexa-2,4-dien-3-ylpiperazine.

Molecular Properties

Compound Name1-hexa-2,4-dien-3-ylpiperazine
PubChem CID123725509
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-hexa-2,4-dien-3-ylpiperazine
SMILESCC=CC(=CC)N1CCNCC1
InChIInChI=1S/C10H18N2/c1-3-5-10(4-2)12-8-6-11-7-9-12/h3-5,11H,6-9H2,1-2H3
InChIKeyYOPHMTFOIWOJJV-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-2,4-dien-3-ylpiperazine?
The IUPAC name of 1-hexa-2,4-dien-3-ylpiperazine (CID 123725509) is 1-hexa-2,4-dien-3-ylpiperazine.
What is the SMILES notation for 1-hexa-2,4-dien-3-ylpiperazine?
The canonical SMILES for 1-hexa-2,4-dien-3-ylpiperazine is CC=CC(=CC)N1CCNCC1.
What is the InChIKey of 1-hexa-2,4-dien-3-ylpiperazine?
The InChIKey is YOPHMTFOIWOJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-10(4-2)12-8-6-11-7-9-12/h3-5,11H,6-9H2,1-2H3.
What are the key properties of 1-hexa-2,4-dien-3-ylpiperazine?
1-hexa-2,4-dien-3-ylpiperazine has a molecular weight of 166.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-2,4-dien-3-ylpiperazine is sourced from PubChem (CID 123725509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).