2-benzyl-1-(3,4-dichlorophenyl)piperazine

C17H18Cl2N2 — CID 24782489

IUPAC2-benzyl-1-(3,4-dichlorophenyl)piperazine
SMILESClc1ccc(N2CCNCC2Cc2ccccc2)cc1Cl
InChIInChI=1S/C17H18Cl2N2/c18-16-7-6-14(11-17(16)19)21-9-8-20-12-15(21)10-13-4-2-1-3-5-13/h1-7,11,15,20H,8-10,12H2
InChIKeyRVOPEWUULYWWBF-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.01
Rot. Bonds3

About 2-benzyl-1-(3,4-dichlorophenyl)piperazine

2-benzyl-1-(3,4-dichlorophenyl)piperazine (PubChem CID 24782489) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-benzyl-1-(3,4-dichlorophenyl)piperazine.

Molecular Properties

Compound Name2-benzyl-1-(3,4-dichlorophenyl)piperazine
PubChem CID24782489
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name2-benzyl-1-(3,4-dichlorophenyl)piperazine
SMILESClc1ccc(N2CCNCC2Cc2ccccc2)cc1Cl
InChIInChI=1S/C17H18Cl2N2/c18-16-7-6-14(11-17(16)19)21-9-8-20-12-15(21)10-13-4-2-1-3-5-13/h1-7,11,15,20H,8-10,12H2
InChIKeyRVOPEWUULYWWBF-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 2-benzyl-1-(3,4-dichlorophenyl)piperazine?
The IUPAC name of 2-benzyl-1-(3,4-dichlorophenyl)piperazine (CID 24782489) is 2-benzyl-1-(3,4-dichlorophenyl)piperazine.
What is the SMILES notation for 2-benzyl-1-(3,4-dichlorophenyl)piperazine?
The canonical SMILES for 2-benzyl-1-(3,4-dichlorophenyl)piperazine is Clc1ccc(N2CCNCC2Cc2ccccc2)cc1Cl.
What is the InChIKey of 2-benzyl-1-(3,4-dichlorophenyl)piperazine?
The InChIKey is RVOPEWUULYWWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-16-7-6-14(11-17(16)19)21-9-8-20-12-15(21)10-13-4-2-1-3-5-13/h1-7,11,15,20H,8-10,12H2.
What are the key properties of 2-benzyl-1-(3,4-dichlorophenyl)piperazine?
2-benzyl-1-(3,4-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 2-benzyl-1-(3,4-dichlorophenyl)piperazine is sourced from PubChem (CID 24782489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).