(E)-4-piperazin-1-ylbut-2-en-1-ol

C8H16N2O — CID 115012167

IUPAC(E)-4-piperazin-1-ylbut-2-en-1-ol
SMILESOC/C=C/CN1CCNCC1
InChIInChI=1S/C8H16N2O/c11-8-2-1-5-10-6-3-9-4-7-10/h1-2,9,11H,3-8H2/b2-1+
InChIKeyPTOXKKGAUJNJHN-OWOJBTEDSA-N
MW156.23 g/mol
LogP-0.56
Rot. Bonds3

About (E)-4-piperazin-1-ylbut-2-en-1-ol

(E)-4-piperazin-1-ylbut-2-en-1-ol (PubChem CID 115012167) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (E)-4-piperazin-1-ylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-piperazin-1-ylbut-2-en-1-ol
PubChem CID115012167
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(E)-4-piperazin-1-ylbut-2-en-1-ol
SMILESOC/C=C/CN1CCNCC1
InChIInChI=1S/C8H16N2O/c11-8-2-1-5-10-6-3-9-4-7-10/h1-2,9,11H,3-8H2/b2-1+
InChIKeyPTOXKKGAUJNJHN-OWOJBTEDSA-N
XLogP-0.56
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.56
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 (E)-4-piperazin-1-ylbut-2-en-1-ol?
The IUPAC name of (E)-4-piperazin-1-ylbut-2-en-1-ol (CID 115012167) is (E)-4-piperazin-1-ylbut-2-en-1-ol.
What is the SMILES notation for (E)-4-piperazin-1-ylbut-2-en-1-ol?
The canonical SMILES for (E)-4-piperazin-1-ylbut-2-en-1-ol is OC/C=C/CN1CCNCC1.
What is the InChIKey of (E)-4-piperazin-1-ylbut-2-en-1-ol?
The InChIKey is PTOXKKGAUJNJHN-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H16N2O/c11-8-2-1-5-10-6-3-9-4-7-10/h1-2,9,11H,3-8H2/b2-1+.
What are the key properties of (E)-4-piperazin-1-ylbut-2-en-1-ol?
(E)-4-piperazin-1-ylbut-2-en-1-ol has a molecular weight of 156.23 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-piperazin-1-ylbut-2-en-1-ol is sourced from PubChem (CID 115012167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).