1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine

C10H18N2 — CID 118476491

IUPAC1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine
SMILESC=C/C=C/N1CCN(CC)CC1
InChIInChI=1S/C10H18N2/c1-3-5-6-12-9-7-11(4-2)8-10-12/h3,5-6H,1,4,7-10H2,2H3/b6-5+
InChIKeyWIKANLRRSVDEFN-AATRIKPKSA-N
MW166.27 g/mol
LogP1.32
Rot. Bonds3

About 1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine

1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine (PubChem CID 118476491) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine
PubChem CID118476491
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine
SMILESC=C/C=C/N1CCN(CC)CC1
InChIInChI=1S/C10H18N2/c1-3-5-6-12-9-7-11(4-2)8-10-12/h3,5-6H,1,4,7-10H2,2H3/b6-5+
InChIKeyWIKANLRRSVDEFN-AATRIKPKSA-N
XLogP1.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.32
H-Bond Donors ≤ 50
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-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine?
The IUPAC name of 1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine (CID 118476491) is 1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine is C=C/C=C/N1CCN(CC)CC1.
What is the InChIKey of 1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine?
The InChIKey is WIKANLRRSVDEFN-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-6-12-9-7-11(4-2)8-10-12/h3,5-6H,1,4,7-10H2,2H3/b6-5+.
What are the key properties of 1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine?
1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine has a molecular weight of 166.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine is sourced from PubChem (CID 118476491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).