1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine

C19H23F3N2O2 — CID 165425411

IUPAC1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine
SMILESCOCCN1CCN(Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1
InChIInChI=1S/C19H23F3N2O2/c1-25-12-11-23-7-9-24(10-8-23)14-17-5-6-18(26-17)15-3-2-4-16(13-15)19(20,21)22/h2-6,13H,7-12,14H2,1H3
InChIKeyJKNJXOIAANCGEC-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.73
Rot. Bonds6

About 1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine

1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine (PubChem CID 165425411) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine
PubChem CID165425411
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine
SMILESCOCCN1CCN(Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1
InChIInChI=1S/C19H23F3N2O2/c1-25-12-11-23-7-9-24(10-8-23)14-17-5-6-18(26-17)15-3-2-4-16(13-15)19(20,21)22/h2-6,13H,7-12,14H2,1H3
InChIKeyJKNJXOIAANCGEC-UHFFFAOYSA-N
XLogP3.73
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine?
The IUPAC name of 1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine (CID 165425411) is 1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine is COCCN1CCN(Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine?
The InChIKey is JKNJXOIAANCGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c1-25-12-11-23-7-9-24(10-8-23)14-17-5-6-18(26-17)15-3-2-4-16(13-15)19(20,21)22/h2-6,13H,7-12,14H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine?
1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine has a molecular weight of 368.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperazine is sourced from PubChem (CID 165425411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).