1-(3-prop-2-enoxyphenyl)piperazine

C13H18N2O — CID 23116631

IUPAC1-(3-prop-2-enoxyphenyl)piperazine
SMILESC=CCOc1cccc(N2CCNCC2)c1
InChIInChI=1S/C13H18N2O/c1-2-10-16-13-5-3-4-12(11-13)15-8-6-14-7-9-15/h2-5,11,14H,1,6-10H2
InChIKeyUMLZPGYQEPYBQZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.66
Rot. Bonds4

About 1-(3-prop-2-enoxyphenyl)piperazine

1-(3-prop-2-enoxyphenyl)piperazine (PubChem CID 23116631) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(3-prop-2-enoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3-prop-2-enoxyphenyl)piperazine
PubChem CID23116631
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(3-prop-2-enoxyphenyl)piperazine
SMILESC=CCOc1cccc(N2CCNCC2)c1
InChIInChI=1S/C13H18N2O/c1-2-10-16-13-5-3-4-12(11-13)15-8-6-14-7-9-15/h2-5,11,14H,1,6-10H2
InChIKeyUMLZPGYQEPYBQZ-UHFFFAOYSA-N
XLogP1.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
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-(3-prop-2-enoxyphenyl)piperazine?
The IUPAC name of 1-(3-prop-2-enoxyphenyl)piperazine (CID 23116631) is 1-(3-prop-2-enoxyphenyl)piperazine.
What is the SMILES notation for 1-(3-prop-2-enoxyphenyl)piperazine?
The canonical SMILES for 1-(3-prop-2-enoxyphenyl)piperazine is C=CCOc1cccc(N2CCNCC2)c1.
What is the InChIKey of 1-(3-prop-2-enoxyphenyl)piperazine?
The InChIKey is UMLZPGYQEPYBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-10-16-13-5-3-4-12(11-13)15-8-6-14-7-9-15/h2-5,11,14H,1,6-10H2.
What are the key properties of 1-(3-prop-2-enoxyphenyl)piperazine?
1-(3-prop-2-enoxyphenyl)piperazine has a molecular weight of 218.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-prop-2-enoxyphenyl)piperazine is sourced from PubChem (CID 23116631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).