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

C17H17Cl2FN2 — CID 782911

IUPAC1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C17H17Cl2FN2/c18-16-2-1-3-17(19)15(16)12-21-8-10-22(11-9-21)14-6-4-13(20)5-7-14/h1-7H,8-12H2
InChIKeyXRLIGBOWQIKRRA-UHFFFAOYSA-N
MW339.24 g/mol
LogP4.45
Rot. Bonds3

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

1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine (PubChem CID 782911) has the molecular formula C17H17Cl2FN2 and a molecular weight of 339.24 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine
PubChem CID782911
Molecular FormulaC17H17Cl2FN2
Molecular Weight339.24 g/mol
Exact Mass338.08
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C17H17Cl2FN2/c18-16-2-1-3-17(19)15(16)12-21-8-10-22(11-9-21)14-6-4-13(20)5-7-14/h1-7H,8-12H2
InChIKeyXRLIGBOWQIKRRA-UHFFFAOYSA-N
XLogP4.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22198709
1-[4-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
CID 1376472
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
1-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 87015648
7-[(2,6-dichlorophenyl)methyl]-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 16618984
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 22195534
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22195587
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
1-[(2-chloro-6-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 8747347

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine (CID 782911) is 1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine is Fc1ccc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is XRLIGBOWQIKRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2/c18-16-2-1-3-17(19)15(16)12-21-8-10-22(11-9-21)14-6-4-13(20)5-7-14/h1-7H,8-12H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine?
1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 339.24 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 782911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).