1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine

C20H22Cl2N2O — CID 54552754

IUPAC1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine
SMILESCC(=CCN1CCNCC1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O/c1-15(8-11-24-12-9-23-10-13-24)16-2-5-18(6-3-16)25-20-7-4-17(21)14-19(20)22/h2-8,14,23H,9-13H2,1H3
InChIKeyZLBJPXYRCWTANS-UHFFFAOYSA-N
MW377.32 g/mol
LogP5.09
Rot. Bonds5

About 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine

1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine (PubChem CID 54552754) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine.

Molecular Properties

Compound Name1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine
PubChem CID54552754
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine
SMILESCC(=CCN1CCNCC1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O/c1-15(8-11-24-12-9-23-10-13-24)16-2-5-18(6-3-16)25-20-7-4-17(21)14-19(20)22/h2-8,14,23H,9-13H2,1H3
InChIKeyZLBJPXYRCWTANS-UHFFFAOYSA-N
XLogP5.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine?
The IUPAC name of 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine (CID 54552754) is 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine.
What is the SMILES notation for 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine?
The canonical SMILES for 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine is CC(=CCN1CCNCC1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine?
The InChIKey is ZLBJPXYRCWTANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-15(8-11-24-12-9-23-10-13-24)16-2-5-18(6-3-16)25-20-7-4-17(21)14-19(20)22/h2-8,14,23H,9-13H2,1H3.
What are the key properties of 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine?
1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine has a molecular weight of 377.32 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine is sourced from PubChem (CID 54552754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).