1-(4-chloro-3-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]piperazine

C20H24ClFN2O2 — CID 22021930

IUPAC1-(4-chloro-3-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]piperazine
SMILESCOc1ccc(C(C)N2CCN(c3ccc(Cl)c(F)c3)CC2)cc1OC
InChIInChI=1S/C20H24ClFN2O2/c1-14(15-4-7-19(25-2)20(12-15)26-3)23-8-10-24(11-9-23)16-5-6-17(21)18(22)13-16/h4-7,12-14H,8-11H2,1-3H3
InChIKeyATFGUYFOGPAPOY-UHFFFAOYSA-N
MW378.88 g/mol
LogP4.38
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]piperazine

1-(4-chloro-3-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]piperazine (PubChem CID 22021930) has the molecular formula C20H24ClFN2O2 and a molecular weight of 378.88 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]piperazine
PubChem CID22021930
Molecular FormulaC20H24ClFN2O2
Molecular Weight378.88 g/mol
Exact Mass378.15
IUPAC Name1-(4-chloro-3-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]piperazine
SMILESCOc1ccc(C(C)N2CCN(c3ccc(Cl)c(F)c3)CC2)cc1OC
InChIInChI=1S/C20H24ClFN2O2/c1-14(15-4-7-19(25-2)20(12-15)26-3)23-8-10-24(11-9-23)16-5-6-17(21)18(22)13-16/h4-7,12-14H,8-11H2,1-3H3
InChIKeyATFGUYFOGPAPOY-UHFFFAOYSA-N
XLogP4.38
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]piperazine (CID 22021930) is 1-(4-chloro-3-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]piperazine is COc1ccc(C(C)N2CCN(c3ccc(Cl)c(F)c3)CC2)cc1OC.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]piperazine?
The InChIKey is ATFGUYFOGPAPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2O2/c1-14(15-4-7-19(25-2)20(12-15)26-3)23-8-10-24(11-9-23)16-5-6-17(21)18(22)13-16/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]piperazine?
1-(4-chloro-3-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]piperazine has a molecular weight of 378.88 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 22021930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).