1-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]piperazine

C17H15Cl2F3N2 — CID 59261431

IUPAC1-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccc(C2CNCCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl2F3N2/c18-13-5-6-15(14(19)9-13)24-8-7-23-10-16(24)11-1-3-12(4-2-11)17(20,21)22/h1-6,9,16,23H,7-8,10H2
InChIKeyKHJZWKPXPKDGKN-UHFFFAOYSA-N
MW375.22 g/mol
LogP5.16
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]piperazine

1-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]piperazine (PubChem CID 59261431) has the molecular formula C17H15Cl2F3N2 and a molecular weight of 375.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]piperazine
PubChem CID59261431
Molecular FormulaC17H15Cl2F3N2
Molecular Weight375.22 g/mol
Exact Mass374.06
IUPAC Name1-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccc(C2CNCCN2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl2F3N2/c18-13-5-6-15(14(19)9-13)24-8-7-23-10-16(24)11-1-3-12(4-2-11)17(20,21)22/h1-6,9,16,23H,7-8,10H2
InChIKeyKHJZWKPXPKDGKN-UHFFFAOYSA-N
XLogP5.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.22
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]piperazine (CID 59261431) is 1-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1ccc(C2CNCCN2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is KHJZWKPXPKDGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2/c18-13-5-6-15(14(19)9-13)24-8-7-23-10-16(24)11-1-3-12(4-2-11)17(20,21)22/h1-6,9,16,23H,7-8,10H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]piperazine?
1-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 375.22 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 59261431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).