1-(2-prop-2-enylphenoxy)piperazine

C13H18N2O — CID 67837578

IUPAC1-(2-prop-2-enylphenoxy)piperazine
SMILESC=CCc1ccccc1ON1CCNCC1
InChIInChI=1S/C13H18N2O/c1-2-5-12-6-3-4-7-13(12)16-15-10-8-14-9-11-15/h2-4,6-7,14H,1,5,8-11H2
InChIKeyFTUUKVGKYCJYOE-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.61
Rot. Bonds4

About 1-(2-prop-2-enylphenoxy)piperazine

1-(2-prop-2-enylphenoxy)piperazine (PubChem CID 67837578) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-prop-2-enylphenoxy)piperazine.

Molecular Properties

Compound Name1-(2-prop-2-enylphenoxy)piperazine
PubChem CID67837578
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(2-prop-2-enylphenoxy)piperazine
SMILESC=CCc1ccccc1ON1CCNCC1
InChIInChI=1S/C13H18N2O/c1-2-5-12-6-3-4-7-13(12)16-15-10-8-14-9-11-15/h2-4,6-7,14H,1,5,8-11H2
InChIKeyFTUUKVGKYCJYOE-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
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-(2-prop-2-enylphenoxy)piperazine?
The IUPAC name of 1-(2-prop-2-enylphenoxy)piperazine (CID 67837578) is 1-(2-prop-2-enylphenoxy)piperazine.
What is the SMILES notation for 1-(2-prop-2-enylphenoxy)piperazine?
The canonical SMILES for 1-(2-prop-2-enylphenoxy)piperazine is C=CCc1ccccc1ON1CCNCC1.
What is the InChIKey of 1-(2-prop-2-enylphenoxy)piperazine?
The InChIKey is FTUUKVGKYCJYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-5-12-6-3-4-7-13(12)16-15-10-8-14-9-11-15/h2-4,6-7,14H,1,5,8-11H2.
What are the key properties of 1-(2-prop-2-enylphenoxy)piperazine?
1-(2-prop-2-enylphenoxy)piperazine has a molecular weight of 218.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enylphenoxy)piperazine is sourced from PubChem (CID 67837578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).