1-(5-chloro-2-methylphenyl)-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine

C20H20ClF3N2 — CID 130471090

IUPAC1-(5-chloro-2-methylphenyl)-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine
SMILESCc1ccc(Cl)cc1N1CCN(/C=C\c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H20ClF3N2/c1-15-2-7-18(21)14-19(15)26-12-10-25(11-13-26)9-8-16-3-5-17(6-4-16)20(22,23)24/h2-9,14H,10-13H2,1H3/b9-8-
InChIKeyRMISLVLOIDNPEI-HJWRWDBZSA-N
MW380.84 g/mol
LogP5.46
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine

1-(5-chloro-2-methylphenyl)-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine (PubChem CID 130471090) has the molecular formula C20H20ClF3N2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine
PubChem CID130471090
Molecular FormulaC20H20ClF3N2
Molecular Weight380.84 g/mol
Exact Mass380.13
IUPAC Name1-(5-chloro-2-methylphenyl)-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine
SMILESCc1ccc(Cl)cc1N1CCN(/C=C\c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H20ClF3N2/c1-15-2-7-18(21)14-19(15)26-12-10-25(11-13-26)9-8-16-3-5-17(6-4-16)20(22,23)24/h2-9,14H,10-13H2,1H3/b9-8-
InChIKeyRMISLVLOIDNPEI-HJWRWDBZSA-N
XLogP5.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.84
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine (CID 130471090) is 1-(5-chloro-2-methylphenyl)-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine is Cc1ccc(Cl)cc1N1CCN(/C=C\c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine?
The InChIKey is RMISLVLOIDNPEI-HJWRWDBZSA-N. The full InChI is InChI=1S/C20H20ClF3N2/c1-15-2-7-18(21)14-19(15)26-12-10-25(11-13-26)9-8-16-3-5-17(6-4-16)20(22,23)24/h2-9,14H,10-13H2,1H3/b9-8-.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine?
1-(5-chloro-2-methylphenyl)-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine has a molecular weight of 380.84 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperazine is sourced from PubChem (CID 130471090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).