1-ethyl-4-prop-2-enylpiperazine

C9H18N2 — CID 45099428

IUPAC1-ethyl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CC)CC1
InChIInChI=1S/C9H18N2/c1-3-5-11-8-6-10(4-2)7-9-11/h3H,1,4-9H2,2H3
InChIKeyXWXCDNMCZSATHC-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.81
Rot. Bonds3

About 1-ethyl-4-prop-2-enylpiperazine

1-ethyl-4-prop-2-enylpiperazine (PubChem CID 45099428) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-ethyl-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-prop-2-enylpiperazine
PubChem CID45099428
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-ethyl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CC)CC1
InChIInChI=1S/C9H18N2/c1-3-5-11-8-6-10(4-2)7-9-11/h3H,1,4-9H2,2H3
InChIKeyXWXCDNMCZSATHC-UHFFFAOYSA-N
XLogP0.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.81
H-Bond Donors ≤ 50
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 1-ethyl-4-prop-2-enylpiperazine?
The IUPAC name of 1-ethyl-4-prop-2-enylpiperazine (CID 45099428) is 1-ethyl-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-ethyl-4-prop-2-enylpiperazine?
The canonical SMILES for 1-ethyl-4-prop-2-enylpiperazine is C=CCN1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-prop-2-enylpiperazine?
The InChIKey is XWXCDNMCZSATHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-5-11-8-6-10(4-2)7-9-11/h3H,1,4-9H2,2H3.
What are the key properties of 1-ethyl-4-prop-2-enylpiperazine?
1-ethyl-4-prop-2-enylpiperazine has a molecular weight of 154.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-prop-2-enylpiperazine is sourced from PubChem (CID 45099428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).