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

C10H20N2 — CID 20730212

IUPAC1-[(E)-but-2-enyl]-4-ethylpiperazine
SMILESC/C=C/CN1CCN(CC)CC1
InChIInChI=1S/C10H20N2/c1-3-5-6-12-9-7-11(4-2)8-10-12/h3,5H,4,6-10H2,1-2H3/b5-3+
InChIKeyNSJPZRUGIHGKDQ-HWKANZROSA-N
MW168.28 g/mol
LogP1.20
Rot. Bonds3

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

1-[(E)-but-2-enyl]-4-ethylpiperazine (PubChem CID 20730212) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-4-ethylpiperazine
PubChem CID20730212
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-[(E)-but-2-enyl]-4-ethylpiperazine
SMILESC/C=C/CN1CCN(CC)CC1
InChIInChI=1S/C10H20N2/c1-3-5-6-12-9-7-11(4-2)8-10-12/h3,5H,4,6-10H2,1-2H3/b5-3+
InChIKeyNSJPZRUGIHGKDQ-HWKANZROSA-N
XLogP1.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.20
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-ethylpiperazine?
The IUPAC name of 1-[(E)-but-2-enyl]-4-ethylpiperazine (CID 20730212) is 1-[(E)-but-2-enyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(E)-but-2-enyl]-4-ethylpiperazine is C/C=C/CN1CCN(CC)CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-4-ethylpiperazine?
The InChIKey is NSJPZRUGIHGKDQ-HWKANZROSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-5-6-12-9-7-11(4-2)8-10-12/h3,5H,4,6-10H2,1-2H3/b5-3+.
What are the key properties of 1-[(E)-but-2-enyl]-4-ethylpiperazine?
1-[(E)-but-2-enyl]-4-ethylpiperazine has a molecular weight of 168.28 g/mol, XLogP of 1.20, 3 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-ethylpiperazine is sourced from PubChem (CID 20730212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).