1-[(1E)-penta-1,4-dienyl]piperazine

C9H16N2 — CID 57093580

IUPAC1-[(1E)-penta-1,4-dienyl]piperazine
SMILESC=CC/C=C/N1CCNCC1
InChIInChI=1S/C9H16N2/c1-2-3-4-7-11-8-5-10-6-9-11/h2,4,7,10H,1,3,5-6,8-9H2/b7-4+
InChIKeyGLMDMRNKEYJLFA-QPJJXVBHSA-N
MW152.24 g/mol
LogP0.98
Rot. Bonds3

About 1-[(1E)-penta-1,4-dienyl]piperazine

1-[(1E)-penta-1,4-dienyl]piperazine (PubChem CID 57093580) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-[(1E)-penta-1,4-dienyl]piperazine.

Molecular Properties

Compound Name1-[(1E)-penta-1,4-dienyl]piperazine
PubChem CID57093580
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-[(1E)-penta-1,4-dienyl]piperazine
SMILESC=CC/C=C/N1CCNCC1
InChIInChI=1S/C9H16N2/c1-2-3-4-7-11-8-5-10-6-9-11/h2,4,7,10H,1,3,5-6,8-9H2/b7-4+
InChIKeyGLMDMRNKEYJLFA-QPJJXVBHSA-N
XLogP0.98
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 ≤ 50.98
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
1-[(E)-prop-1-enyl]piperazine
CID 17883578
1-[(E)-but-1-enyl]-4-methylpiperazine
CID 15156750
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
N-(2-(Piperazin-1-yl)ethyl)prop-2-en-1-amine
CID 15074367
1,1-Bis(prop-2-enyl)piperazin-1-ium
CID 20077709
1-[(E)-hex-1-enyl]piperazine
CID 20220991
1-Methanidyl-4-prop-2-enylpiperazin-1-ium
CID 20723124
1,4-bis(ethenyl)piperazine;N-methylprop-2-en-1-amine
CID 21426355
N-[2-(2,3-dihydropyrrol-1-yl)ethyl]prop-2-en-1-amine
CID 21651577
1-[(Z)-prop-1-enyl]piperazine
CID 45117275

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-penta-1,4-dienyl]piperazine?
The IUPAC name of 1-[(1E)-penta-1,4-dienyl]piperazine (CID 57093580) is 1-[(1E)-penta-1,4-dienyl]piperazine.
What is the SMILES notation for 1-[(1E)-penta-1,4-dienyl]piperazine?
The canonical SMILES for 1-[(1E)-penta-1,4-dienyl]piperazine is C=CC/C=C/N1CCNCC1.
What is the InChIKey of 1-[(1E)-penta-1,4-dienyl]piperazine?
The InChIKey is GLMDMRNKEYJLFA-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-3-4-7-11-8-5-10-6-9-11/h2,4,7,10H,1,3,5-6,8-9H2/b7-4+.
What are the key properties of 1-[(1E)-penta-1,4-dienyl]piperazine?
1-[(1E)-penta-1,4-dienyl]piperazine has a molecular weight of 152.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-penta-1,4-dienyl]piperazine is sourced from PubChem (CID 57093580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).