1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine

C18H19Cl2FN2 — CID 167760406

IUPAC1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine
SMILESFc1cccc(CCN2CCN(c3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C18H19Cl2FN2/c19-16-5-2-6-17(20)18(16)23-11-9-22(10-12-23)8-7-14-3-1-4-15(21)13-14/h1-6,13H,7-12H2
InChIKeyAMJBXZOXZOTMAF-UHFFFAOYSA-N
MW353.27 g/mol
LogP4.50
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine

1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine (PubChem CID 167760406) has the molecular formula C18H19Cl2FN2 and a molecular weight of 353.27 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine
PubChem CID167760406
Molecular FormulaC18H19Cl2FN2
Molecular Weight353.27 g/mol
Exact Mass352.09
IUPAC Name1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine
SMILESFc1cccc(CCN2CCN(c3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C18H19Cl2FN2/c19-16-5-2-6-17(20)18(16)23-11-9-22(10-12-23)8-7-14-3-1-4-15(21)13-14/h1-6,13H,7-12H2
InChIKeyAMJBXZOXZOTMAF-UHFFFAOYSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione
CID 63789963
1-[2-(3-fluorophenyl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
CID 95471751
1-[2-(3-fluorophenyl)ethyl]-N-propylpiperidin-4-amine
CID 43566257
N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 119164826
2-[2-(3-fluorophenyl)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 72871498
1-(2-chloroethyl)-4-[(3-fluorophenyl)methyl]-1,4-diazepane
CID 63387530
2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol
CID 42461723
1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 558444
1-(2,6-dichlorophenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443809
N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 60589309

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine?
The IUPAC name of 1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine (CID 167760406) is 1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine is Fc1cccc(CCN2CCN(c3c(Cl)cccc3Cl)CC2)c1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine?
The InChIKey is AMJBXZOXZOTMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN2/c19-16-5-2-6-17(20)18(16)23-11-9-22(10-12-23)8-7-14-3-1-4-15(21)13-14/h1-6,13H,7-12H2.
What are the key properties of 1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine?
1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine has a molecular weight of 353.27 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-4-[2-(3-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 167760406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).