1-but-3-enylpiperazine

C8H16N2 — CID 10329388

IUPAC1-but-3-enylpiperazine
SMILESC=CCCN1CCNCC1
InChIInChI=1S/C8H16N2/c1-2-3-6-10-7-4-9-5-8-10/h2,9H,1,3-8H2
InChIKeyAFCUQBVRWTYGJX-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.47
Rot. Bonds3

About 1-but-3-enylpiperazine

1-but-3-enylpiperazine (PubChem CID 10329388) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-but-3-enylpiperazine.

Molecular Properties

Compound Name1-but-3-enylpiperazine
PubChem CID10329388
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-but-3-enylpiperazine
SMILESC=CCCN1CCNCC1
InChIInChI=1S/C8H16N2/c1-2-3-6-10-7-4-9-5-8-10/h2,9H,1,3-8H2
InChIKeyAFCUQBVRWTYGJX-UHFFFAOYSA-N
XLogP0.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
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-but-3-enylpiperazine?
The IUPAC name of 1-but-3-enylpiperazine (CID 10329388) is 1-but-3-enylpiperazine.
What is the SMILES notation for 1-but-3-enylpiperazine?
The canonical SMILES for 1-but-3-enylpiperazine is C=CCCN1CCNCC1.
What is the InChIKey of 1-but-3-enylpiperazine?
The InChIKey is AFCUQBVRWTYGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-3-6-10-7-4-9-5-8-10/h2,9H,1,3-8H2.
What are the key properties of 1-but-3-enylpiperazine?
1-but-3-enylpiperazine has a molecular weight of 140.23 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enylpiperazine is sourced from PubChem (CID 10329388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).