2-pent-3-enylpiperazine

C9H18N2 — CID 54248757

IUPAC2-pent-3-enylpiperazine
SMILESCC=CCCC1CNCCN1
InChIInChI=1S/C9H18N2/c1-2-3-4-5-9-8-10-6-7-11-9/h2-3,9-11H,4-8H2,1H3
InChIKeyHMLVQAKEMCVVOQ-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.90
Rot. Bonds3

About 2-pent-3-enylpiperazine

2-pent-3-enylpiperazine (PubChem CID 54248757) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-pent-3-enylpiperazine.

Molecular Properties

Compound Name2-pent-3-enylpiperazine
PubChem CID54248757
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-pent-3-enylpiperazine
SMILESCC=CCCC1CNCCN1
InChIInChI=1S/C9H18N2/c1-2-3-4-5-9-8-10-6-7-11-9/h2-3,9-11H,4-8H2,1H3
InChIKeyHMLVQAKEMCVVOQ-UHFFFAOYSA-N
XLogP0.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
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 2-pent-3-enylpiperazine?
The IUPAC name of 2-pent-3-enylpiperazine (CID 54248757) is 2-pent-3-enylpiperazine.
What is the SMILES notation for 2-pent-3-enylpiperazine?
The canonical SMILES for 2-pent-3-enylpiperazine is CC=CCCC1CNCCN1.
What is the InChIKey of 2-pent-3-enylpiperazine?
The InChIKey is HMLVQAKEMCVVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-3-4-5-9-8-10-6-7-11-9/h2-3,9-11H,4-8H2,1H3.
What are the key properties of 2-pent-3-enylpiperazine?
2-pent-3-enylpiperazine has a molecular weight of 154.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-3-enylpiperazine is sourced from PubChem (CID 54248757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).