1-[(E)-4-methoxybut-3-en-2-yl]piperazine

C9H18N2O — CID 138659336

IUPAC1-[(E)-4-methoxybut-3-en-2-yl]piperazine
SMILESCO/C=C/C(C)N1CCNCC1
InChIInChI=1S/C9H18N2O/c1-9(3-8-12-2)11-6-4-10-5-7-11/h3,8-10H,4-7H2,1-2H3/b8-3+
InChIKeyYJBWLWUWDUQJBO-FPYGCLRLSA-N
MW170.26 g/mol
LogP0.44
Rot. Bonds3

About 1-[(E)-4-methoxybut-3-en-2-yl]piperazine

1-[(E)-4-methoxybut-3-en-2-yl]piperazine (PubChem CID 138659336) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[(E)-4-methoxybut-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[(E)-4-methoxybut-3-en-2-yl]piperazine
PubChem CID138659336
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[(E)-4-methoxybut-3-en-2-yl]piperazine
SMILESCO/C=C/C(C)N1CCNCC1
InChIInChI=1S/C9H18N2O/c1-9(3-8-12-2)11-6-4-10-5-7-11/h3,8-10H,4-7H2,1-2H3/b8-3+
InChIKeyYJBWLWUWDUQJBO-FPYGCLRLSA-N
XLogP0.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-methoxybut-3-en-2-yl]piperazine?
The IUPAC name of 1-[(E)-4-methoxybut-3-en-2-yl]piperazine (CID 138659336) is 1-[(E)-4-methoxybut-3-en-2-yl]piperazine.
What is the SMILES notation for 1-[(E)-4-methoxybut-3-en-2-yl]piperazine?
The canonical SMILES for 1-[(E)-4-methoxybut-3-en-2-yl]piperazine is CO/C=C/C(C)N1CCNCC1.
What is the InChIKey of 1-[(E)-4-methoxybut-3-en-2-yl]piperazine?
The InChIKey is YJBWLWUWDUQJBO-FPYGCLRLSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(3-8-12-2)11-6-4-10-5-7-11/h3,8-10H,4-7H2,1-2H3/b8-3+.
What are the key properties of 1-[(E)-4-methoxybut-3-en-2-yl]piperazine?
1-[(E)-4-methoxybut-3-en-2-yl]piperazine has a molecular weight of 170.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-methoxybut-3-en-2-yl]piperazine is sourced from PubChem (CID 138659336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).