1-pent-4-enylpiperazine

C9H18N2 — CID 57187487

IUPAC1-pent-4-enylpiperazine
SMILESC=CCCCN1CCNCC1
InChIInChI=1S/C9H18N2/c1-2-3-4-7-11-8-5-10-6-9-11/h2,10H,1,3-9H2
InChIKeyBHHVBYMVOSVUSG-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds4

About 1-pent-4-enylpiperazine

1-pent-4-enylpiperazine (PubChem CID 57187487) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-pent-4-enylpiperazine.

Molecular Properties

Compound Name1-pent-4-enylpiperazine
PubChem CID57187487
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-pent-4-enylpiperazine
SMILESC=CCCCN1CCNCC1
InChIInChI=1S/C9H18N2/c1-2-3-4-7-11-8-5-10-6-9-11/h2,10H,1,3-9H2
InChIKeyBHHVBYMVOSVUSG-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enylpiperazine?
The IUPAC name of 1-pent-4-enylpiperazine (CID 57187487) is 1-pent-4-enylpiperazine.
What is the SMILES notation for 1-pent-4-enylpiperazine?
The canonical SMILES for 1-pent-4-enylpiperazine is C=CCCCN1CCNCC1.
What is the InChIKey of 1-pent-4-enylpiperazine?
The InChIKey is BHHVBYMVOSVUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-3-4-7-11-8-5-10-6-9-11/h2,10H,1,3-9H2.
What are the key properties of 1-pent-4-enylpiperazine?
1-pent-4-enylpiperazine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enylpiperazine is sourced from PubChem (CID 57187487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).