1-piperazin-1-ylbut-2-en-1-amine

C8H17N3 — CID 67636199

IUPAC1-piperazin-1-ylbut-2-en-1-amine
SMILESCC=CC(N)N1CCNCC1
InChIInChI=1S/C8H17N3/c1-2-3-8(9)11-6-4-10-5-7-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyOKYROEVBONDPAU-UHFFFAOYSA-N
MW155.25 g/mol
LogP-0.25
Rot. Bonds2

About 1-piperazin-1-ylbut-2-en-1-amine

1-piperazin-1-ylbut-2-en-1-amine (PubChem CID 67636199) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 1-piperazin-1-ylbut-2-en-1-amine.

Molecular Properties

Compound Name1-piperazin-1-ylbut-2-en-1-amine
PubChem CID67636199
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name1-piperazin-1-ylbut-2-en-1-amine
SMILESCC=CC(N)N1CCNCC1
InChIInChI=1S/C8H17N3/c1-2-3-8(9)11-6-4-10-5-7-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyOKYROEVBONDPAU-UHFFFAOYSA-N
XLogP-0.25
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-piperazin-1-ylbut-2-en-1-amine?
The IUPAC name of 1-piperazin-1-ylbut-2-en-1-amine (CID 67636199) is 1-piperazin-1-ylbut-2-en-1-amine.
What is the SMILES notation for 1-piperazin-1-ylbut-2-en-1-amine?
The canonical SMILES for 1-piperazin-1-ylbut-2-en-1-amine is CC=CC(N)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylbut-2-en-1-amine?
The InChIKey is OKYROEVBONDPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-2-3-8(9)11-6-4-10-5-7-11/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 1-piperazin-1-ylbut-2-en-1-amine?
1-piperazin-1-ylbut-2-en-1-amine has a molecular weight of 155.25 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylbut-2-en-1-amine is sourced from PubChem (CID 67636199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).