2-[(E)-but-2-en-2-yl]piperazine;ethane

C10H22N2 — CID 169255491

IUPAC2-[(E)-but-2-en-2-yl]piperazine;ethane
SMILESC/C=C(\C)C1CNCCN1.CC
InChIInChI=1S/C8H16N2.C2H6/c1-3-7(2)8-6-9-4-5-10-8;1-2/h3,8-10H,4-6H2,1-2H3;1-2H3/b7-3+;
InChIKeyRDXWCENHZKJLPO-CDQVLDCRSA-N
MW170.30 g/mol
LogP1.54
Rot. Bonds1

About 2-[(E)-but-2-en-2-yl]piperazine;ethane

2-[(E)-but-2-en-2-yl]piperazine;ethane (PubChem CID 169255491) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-[(E)-but-2-en-2-yl]piperazine;ethane.

Molecular Properties

Compound Name2-[(E)-but-2-en-2-yl]piperazine;ethane
PubChem CID169255491
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-[(E)-but-2-en-2-yl]piperazine;ethane
SMILESC/C=C(\C)C1CNCCN1.CC
InChIInChI=1S/C8H16N2.C2H6/c1-3-7(2)8-6-9-4-5-10-8;1-2/h3,8-10H,4-6H2,1-2H3;1-2H3/b7-3+;
InChIKeyRDXWCENHZKJLPO-CDQVLDCRSA-N
XLogP1.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
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 2-[(E)-but-2-en-2-yl]piperazine;ethane?
The IUPAC name of 2-[(E)-but-2-en-2-yl]piperazine;ethane (CID 169255491) is 2-[(E)-but-2-en-2-yl]piperazine;ethane.
What is the SMILES notation for 2-[(E)-but-2-en-2-yl]piperazine;ethane?
The canonical SMILES for 2-[(E)-but-2-en-2-yl]piperazine;ethane is C/C=C(\C)C1CNCCN1.CC.
What is the InChIKey of 2-[(E)-but-2-en-2-yl]piperazine;ethane?
The InChIKey is RDXWCENHZKJLPO-CDQVLDCRSA-N. The full InChI is InChI=1S/C8H16N2.C2H6/c1-3-7(2)8-6-9-4-5-10-8;1-2/h3,8-10H,4-6H2,1-2H3;1-2H3/b7-3+;.
What are the key properties of 2-[(E)-but-2-en-2-yl]piperazine;ethane?
2-[(E)-but-2-en-2-yl]piperazine;ethane has a molecular weight of 170.30 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-en-2-yl]piperazine;ethane is sourced from PubChem (CID 169255491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).