1-[(2,4-dichlorophenyl)methyl]-4-phenylpiperazine

C17H18Cl2N2 — CID 764237

IUPAC1-[(2,4-dichlorophenyl)methyl]-4-phenylpiperazine
SMILESClc1ccc(CN2CCN(c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2/c18-15-7-6-14(17(19)12-15)13-20-8-10-21(11-9-20)16-4-2-1-3-5-16/h1-7,12H,8-11,13H2
InChIKeyLFLOOYMIFNSBQK-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.32
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-4-phenylpiperazine

1-[(2,4-dichlorophenyl)methyl]-4-phenylpiperazine (PubChem CID 764237) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-4-phenylpiperazine
PubChem CID764237
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-4-phenylpiperazine
SMILESClc1ccc(CN2CCN(c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2/c18-15-7-6-14(17(19)12-15)13-20-8-10-21(11-9-20)16-4-2-1-3-5-16/h1-7,12H,8-11,13H2
InChIKeyLFLOOYMIFNSBQK-UHFFFAOYSA-N
XLogP4.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-phenylpiperazine (CID 764237) is 1-[(2,4-dichlorophenyl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-4-phenylpiperazine is Clc1ccc(CN2CCN(c3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-4-phenylpiperazine?
The InChIKey is LFLOOYMIFNSBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-15-7-6-14(17(19)12-15)13-20-8-10-21(11-9-20)16-4-2-1-3-5-16/h1-7,12H,8-11,13H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-4-phenylpiperazine?
1-[(2,4-dichlorophenyl)methyl]-4-phenylpiperazine has a molecular weight of 321.25 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 764237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).