3-benzyl-1-(2,5-dichlorophenyl)piperazine

C17H18Cl2N2 — CID 64925458

IUPAC3-benzyl-1-(2,5-dichlorophenyl)piperazine
SMILESClc1ccc(Cl)c(N2CCNC(Cc3ccccc3)C2)c1
InChIInChI=1S/C17H18Cl2N2/c18-14-6-7-16(19)17(11-14)21-9-8-20-15(12-21)10-13-4-2-1-3-5-13/h1-7,11,15,20H,8-10,12H2
InChIKeyQWLHRNWMABPYEM-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.01
Rot. Bonds3

About 3-benzyl-1-(2,5-dichlorophenyl)piperazine

3-benzyl-1-(2,5-dichlorophenyl)piperazine (PubChem CID 64925458) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 3-benzyl-1-(2,5-dichlorophenyl)piperazine.

Molecular Properties

Compound Name3-benzyl-1-(2,5-dichlorophenyl)piperazine
PubChem CID64925458
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name3-benzyl-1-(2,5-dichlorophenyl)piperazine
SMILESClc1ccc(Cl)c(N2CCNC(Cc3ccccc3)C2)c1
InChIInChI=1S/C17H18Cl2N2/c18-14-6-7-16(19)17(11-14)21-9-8-20-15(12-21)10-13-4-2-1-3-5-13/h1-7,11,15,20H,8-10,12H2
InChIKeyQWLHRNWMABPYEM-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(2,5-dichlorophenyl)piperazine?
The IUPAC name of 3-benzyl-1-(2,5-dichlorophenyl)piperazine (CID 64925458) is 3-benzyl-1-(2,5-dichlorophenyl)piperazine.
What is the SMILES notation for 3-benzyl-1-(2,5-dichlorophenyl)piperazine?
The canonical SMILES for 3-benzyl-1-(2,5-dichlorophenyl)piperazine is Clc1ccc(Cl)c(N2CCNC(Cc3ccccc3)C2)c1.
What is the InChIKey of 3-benzyl-1-(2,5-dichlorophenyl)piperazine?
The InChIKey is QWLHRNWMABPYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-14-6-7-16(19)17(11-14)21-9-8-20-15(12-21)10-13-4-2-1-3-5-13/h1-7,11,15,20H,8-10,12H2.
What are the key properties of 3-benzyl-1-(2,5-dichlorophenyl)piperazine?
3-benzyl-1-(2,5-dichlorophenyl)piperazine has a molecular weight of 321.25 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2,5-dichlorophenyl)piperazine is sourced from PubChem (CID 64925458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).