1-but-3-en-2-ylpiperazine

C8H16N2 — CID 12530650

IUPAC1-but-3-en-2-ylpiperazine
SMILESC=CC(C)N1CCNCC1
InChIInChI=1S/C8H16N2/c1-3-8(2)10-6-4-9-5-7-10/h3,8-9H,1,4-7H2,2H3
InChIKeyUGCCLGCAKMDZLT-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.47
Rot. Bonds2

About 1-but-3-en-2-ylpiperazine

1-but-3-en-2-ylpiperazine (PubChem CID 12530650) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-but-3-en-2-ylpiperazine.

Molecular Properties

Compound Name1-but-3-en-2-ylpiperazine
PubChem CID12530650
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-but-3-en-2-ylpiperazine
SMILESC=CC(C)N1CCNCC1
InChIInChI=1S/C8H16N2/c1-3-8(2)10-6-4-9-5-7-10/h3,8-9H,1,4-7H2,2H3
InChIKeyUGCCLGCAKMDZLT-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 23447962
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CID 123142512
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CID 169661367
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CID 4742418
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CID 134925876
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CID 134994082
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Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-ylpiperazine?
The IUPAC name of 1-but-3-en-2-ylpiperazine (CID 12530650) is 1-but-3-en-2-ylpiperazine.
What is the SMILES notation for 1-but-3-en-2-ylpiperazine?
The canonical SMILES for 1-but-3-en-2-ylpiperazine is C=CC(C)N1CCNCC1.
What is the InChIKey of 1-but-3-en-2-ylpiperazine?
The InChIKey is UGCCLGCAKMDZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-8(2)10-6-4-9-5-7-10/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 1-but-3-en-2-ylpiperazine?
1-but-3-en-2-ylpiperazine has a molecular weight of 140.23 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-ylpiperazine is sourced from PubChem (CID 12530650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).