(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine

C24H22Cl3FN2 — CID 59261970

IUPAC(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine
SMILESFc1ccccc1CCN1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H22Cl3FN2/c25-19-7-5-18(6-8-19)24-16-29(12-11-17-3-1-2-4-22(17)28)13-14-30(24)23-10-9-20(26)15-21(23)27/h1-10,15,24H,11-14,16H2/t24-/m0/s1
InChIKeyYMFJUCLEYKVFEF-DEOSSOPVSA-N
MW463.81 g/mol
LogP6.89
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine

(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine (PubChem CID 59261970) has the molecular formula C24H22Cl3FN2 and a molecular weight of 463.81 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine
PubChem CID59261970
Molecular FormulaC24H22Cl3FN2
Molecular Weight463.81 g/mol
Exact Mass462.08
IUPAC Name(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine
SMILESFc1ccccc1CCN1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H22Cl3FN2/c25-19-7-5-18(6-8-19)24-16-29(12-11-17-3-1-2-4-22(17)28)13-14-30(24)23-10-9-20(26)15-21(23)27/h1-10,15,24H,11-14,16H2/t24-/m0/s1
InChIKeyYMFJUCLEYKVFEF-DEOSSOPVSA-N
XLogP6.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.81
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine?
The IUPAC name of (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine (CID 59261970) is (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine is Fc1ccccc1CCN1CCN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine?
The InChIKey is YMFJUCLEYKVFEF-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H22Cl3FN2/c25-19-7-5-18(6-8-19)24-16-29(12-11-17-3-1-2-4-22(17)28)13-14-30(24)23-10-9-20(26)15-21(23)27/h1-10,15,24H,11-14,16H2/t24-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine?
(2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine has a molecular weight of 463.81 g/mol, XLogP of 6.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 59261970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).