1-[(E)-but-1-enyl]piperazine

C8H16N2 — CID 55287402

IUPAC1-[(E)-but-1-enyl]piperazine
SMILESCC/C=C/N1CCNCC1
InChIInChI=1S/C8H16N2/c1-2-3-6-10-7-4-9-5-8-10/h3,6,9H,2,4-5,7-8H2,1H3/b6-3+
InChIKeyPNKWGYPAHZAXSB-ZZXKWVIFSA-N
MW140.23 g/mol
LogP0.82
Rot. Bonds2

About 1-[(E)-but-1-enyl]piperazine

1-[(E)-but-1-enyl]piperazine (PubChem CID 55287402) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]piperazine
PubChem CID55287402
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-[(E)-but-1-enyl]piperazine
SMILESCC/C=C/N1CCNCC1
InChIInChI=1S/C8H16N2/c1-2-3-6-10-7-4-9-5-8-10/h3,6,9H,2,4-5,7-8H2,1H3/b6-3+
InChIKeyPNKWGYPAHZAXSB-ZZXKWVIFSA-N
XLogP0.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]piperazine?
The IUPAC name of 1-[(E)-but-1-enyl]piperazine (CID 55287402) is 1-[(E)-but-1-enyl]piperazine.
What is the SMILES notation for 1-[(E)-but-1-enyl]piperazine?
The canonical SMILES for 1-[(E)-but-1-enyl]piperazine is CC/C=C/N1CCNCC1.
What is the InChIKey of 1-[(E)-but-1-enyl]piperazine?
The InChIKey is PNKWGYPAHZAXSB-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-3-6-10-7-4-9-5-8-10/h3,6,9H,2,4-5,7-8H2,1H3/b6-3+.
What are the key properties of 1-[(E)-but-1-enyl]piperazine?
1-[(E)-but-1-enyl]piperazine has a molecular weight of 140.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]piperazine is sourced from PubChem (CID 55287402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).