1-[(E)-but-2-enyl]-4-methylpiperazine

C9H18N2 — CID 20730213

IUPAC1-[(E)-but-2-enyl]-4-methylpiperazine
SMILESC/C=C/CN1CCN(C)CC1
InChIInChI=1S/C9H18N2/c1-3-4-5-11-8-6-10(2)7-9-11/h3-4H,5-9H2,1-2H3/b4-3+
InChIKeyMDMLQWGTZCCSHA-ONEGZZNKSA-N
MW154.26 g/mol
LogP0.81
Rot. Bonds2

About 1-[(E)-but-2-enyl]-4-methylpiperazine

1-[(E)-but-2-enyl]-4-methylpiperazine (PubChem CID 20730213) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-4-methylpiperazine
PubChem CID20730213
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-[(E)-but-2-enyl]-4-methylpiperazine
SMILESC/C=C/CN1CCN(C)CC1
InChIInChI=1S/C9H18N2/c1-3-4-5-11-8-6-10(2)7-9-11/h3-4H,5-9H2,1-2H3/b4-3+
InChIKeyMDMLQWGTZCCSHA-ONEGZZNKSA-N
XLogP0.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-4-methylpiperazine?
The IUPAC name of 1-[(E)-but-2-enyl]-4-methylpiperazine (CID 20730213) is 1-[(E)-but-2-enyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-4-methylpiperazine?
The canonical SMILES for 1-[(E)-but-2-enyl]-4-methylpiperazine is C/C=C/CN1CCN(C)CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-4-methylpiperazine?
The InChIKey is MDMLQWGTZCCSHA-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-4-5-11-8-6-10(2)7-9-11/h3-4H,5-9H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-but-2-enyl]-4-methylpiperazine?
1-[(E)-but-2-enyl]-4-methylpiperazine has a molecular weight of 154.26 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-4-methylpiperazine is sourced from PubChem (CID 20730213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).