1-ethyl-4-[(E)-2-methylbut-2-enyl]piperazine

C11H22N2 — CID 870776

IUPAC1-ethyl-4-[(E)-2-methylbut-2-enyl]piperazine
SMILESC/C=C(\C)CN1CCN(CC)CC1
InChIInChI=1S/C11H22N2/c1-4-11(3)10-13-8-6-12(5-2)7-9-13/h4H,5-10H2,1-3H3/b11-4+
InChIKeyZVNSMJWDRUXHOX-NYYWCZLTSA-N
MW182.31 g/mol
LogP1.59
Rot. Bonds3

About 1-ethyl-4-[(E)-2-methylbut-2-enyl]piperazine

1-ethyl-4-[(E)-2-methylbut-2-enyl]piperazine (PubChem CID 870776) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-2-methylbut-2-enyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(E)-2-methylbut-2-enyl]piperazine
PubChem CID870776
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-ethyl-4-[(E)-2-methylbut-2-enyl]piperazine
SMILESC/C=C(\C)CN1CCN(CC)CC1
InChIInChI=1S/C11H22N2/c1-4-11(3)10-13-8-6-12(5-2)7-9-13/h4H,5-10H2,1-3H3/b11-4+
InChIKeyZVNSMJWDRUXHOX-NYYWCZLTSA-N
XLogP1.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.59
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-ethyl-4-[(E)-2-methylbut-2-enyl]piperazine?
The IUPAC name of 1-ethyl-4-[(E)-2-methylbut-2-enyl]piperazine (CID 870776) is 1-ethyl-4-[(E)-2-methylbut-2-enyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(E)-2-methylbut-2-enyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(E)-2-methylbut-2-enyl]piperazine is C/C=C(\C)CN1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-[(E)-2-methylbut-2-enyl]piperazine?
The InChIKey is ZVNSMJWDRUXHOX-NYYWCZLTSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-11(3)10-13-8-6-12(5-2)7-9-13/h4H,5-10H2,1-3H3/b11-4+.
What are the key properties of 1-ethyl-4-[(E)-2-methylbut-2-enyl]piperazine?
1-ethyl-4-[(E)-2-methylbut-2-enyl]piperazine has a molecular weight of 182.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-2-methylbut-2-enyl]piperazine is sourced from PubChem (CID 870776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).