1-[(2,3-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C20H23F3N2O2 — CID 1377324

IUPAC1-[(2,3-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1OC
InChIInChI=1S/C20H23F3N2O2/c1-26-18-8-3-5-15(19(18)27-2)14-24-9-11-25(12-10-24)17-7-4-6-16(13-17)20(21,22)23/h3-8,13H,9-12,14H2,1-2H3
InChIKeyBAIRDSZZLQZRND-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.04
Rot. Bonds5

About 1-[(2,3-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(2,3-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 1377324) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID1377324
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1OC
InChIInChI=1S/C20H23F3N2O2/c1-26-18-8-3-5-15(19(18)27-2)14-24-9-11-25(12-10-24)17-7-4-6-16(13-17)20(21,22)23/h3-8,13H,9-12,14H2,1-2H3
InChIKeyBAIRDSZZLQZRND-UHFFFAOYSA-N
XLogP4.04
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 1377324) is 1-[(2,3-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is COc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is BAIRDSZZLQZRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-26-18-8-3-5-15(19(18)27-2)14-24-9-11-25(12-10-24)17-7-4-6-16(13-17)20(21,22)23/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(2,3-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 380.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 1377324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).