1-[(2E)-hexa-2,5-dienyl]piperazine

C10H18N2 — CID 56989818

IUPAC1-[(2E)-hexa-2,5-dienyl]piperazine
SMILESC=CC/C=C/CN1CCNCC1
InChIInChI=1S/C10H18N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h2,4-5,11H,1,3,6-10H2/b5-4+
InChIKeyVLJPLMLUOKMZKN-SNAWJCMRSA-N
MW166.27 g/mol
LogP1.02
Rot. Bonds4

About 1-[(2E)-hexa-2,5-dienyl]piperazine

1-[(2E)-hexa-2,5-dienyl]piperazine (PubChem CID 56989818) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-[(2E)-hexa-2,5-dienyl]piperazine.

Molecular Properties

Compound Name1-[(2E)-hexa-2,5-dienyl]piperazine
PubChem CID56989818
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-[(2E)-hexa-2,5-dienyl]piperazine
SMILESC=CC/C=C/CN1CCNCC1
InChIInChI=1S/C10H18N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h2,4-5,11H,1,3,6-10H2/b5-4+
InChIKeyVLJPLMLUOKMZKN-SNAWJCMRSA-N
XLogP1.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(Diallylamino)-ethyl]-piperazine
CID 2735924
Geranylpiperazine
CID 14497703
1-(3,7-Dimethylocta-2,6-dienyl)piperazine
CID 53785157
1-(2-Fluoronona-3,6-dien-5-yl)piperazine
CID 123142512
1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine
CID 167210269
2-(4-Prop-2-enylpiperazin-1-yl)ethanamine
CID 4742418
(2R,3R)-2,3-bis[(1E)-penta-1,4-dienyl]piperazine
CID 134925876
(2R,3R)-2,3-bis[(E)-pent-1-enyl]piperazine
CID 134994082
(2R,3R)-2,3-bis[(E)-prop-1-enyl]piperazine
CID 134994271
N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine
CID 171323299
1-(But-3-en-1-yl)piperazine
CID 10329388
1-But-3-en-2-ylpiperazine
CID 12530650

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-hexa-2,5-dienyl]piperazine?
The IUPAC name of 1-[(2E)-hexa-2,5-dienyl]piperazine (CID 56989818) is 1-[(2E)-hexa-2,5-dienyl]piperazine.
What is the SMILES notation for 1-[(2E)-hexa-2,5-dienyl]piperazine?
The canonical SMILES for 1-[(2E)-hexa-2,5-dienyl]piperazine is C=CC/C=C/CN1CCNCC1.
What is the InChIKey of 1-[(2E)-hexa-2,5-dienyl]piperazine?
The InChIKey is VLJPLMLUOKMZKN-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-3-4-5-8-12-9-6-11-7-10-12/h2,4-5,11H,1,3,6-10H2/b5-4+.
What are the key properties of 1-[(2E)-hexa-2,5-dienyl]piperazine?
1-[(2E)-hexa-2,5-dienyl]piperazine has a molecular weight of 166.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-hexa-2,5-dienyl]piperazine is sourced from PubChem (CID 56989818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).