1-(3-chlorophenyl)-4-prop-2-enylpiperazine

C13H17ClN2 — CID 15665441

IUPAC1-(3-chlorophenyl)-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H17ClN2/c1-2-6-15-7-9-16(10-8-15)13-5-3-4-12(14)11-13/h2-5,11H,1,6-10H2
InChIKeyXEMWXLIWDOJAHL-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.65
Rot. Bonds3

About 1-(3-chlorophenyl)-4-prop-2-enylpiperazine

1-(3-chlorophenyl)-4-prop-2-enylpiperazine (PubChem CID 15665441) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-prop-2-enylpiperazine
PubChem CID15665441
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-(3-chlorophenyl)-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H17ClN2/c1-2-6-15-7-9-16(10-8-15)13-5-3-4-12(14)11-13/h2-5,11H,1,6-10H2
InChIKeyXEMWXLIWDOJAHL-UHFFFAOYSA-N
XLogP2.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.65
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-(3-chlorophenyl)-4-prop-2-enylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-prop-2-enylpiperazine (CID 15665441) is 1-(3-chlorophenyl)-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-prop-2-enylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-prop-2-enylpiperazine is C=CCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-prop-2-enylpiperazine?
The InChIKey is XEMWXLIWDOJAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-2-6-15-7-9-16(10-8-15)13-5-3-4-12(14)11-13/h2-5,11H,1,6-10H2.
What are the key properties of 1-(3-chlorophenyl)-4-prop-2-enylpiperazine?
1-(3-chlorophenyl)-4-prop-2-enylpiperazine has a molecular weight of 236.75 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-prop-2-enylpiperazine is sourced from PubChem (CID 15665441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).