2-ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol

C20H23F3N2O2 — CID 1067897

IUPAC2-ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol
SMILESCCOc1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1O
InChIInChI=1S/C20H23F3N2O2/c1-2-27-19-12-15(6-7-18(19)26)14-24-8-10-25(11-9-24)17-5-3-4-16(13-17)20(21,22)23/h3-7,12-13,26H,2,8-11,14H2,1H3
InChIKeyJWEXVGPAGLVLGN-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.13
Rot. Bonds5

About 2-ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol

2-ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol (PubChem CID 1067897) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol
PubChem CID1067897
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name2-ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol
SMILESCCOc1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1O
InChIInChI=1S/C20H23F3N2O2/c1-2-27-19-12-15(6-7-18(19)26)14-24-8-10-25(11-9-24)17-5-3-4-16(13-17)20(21,22)23/h3-7,12-13,26H,2,8-11,14H2,1H3
InChIKeyJWEXVGPAGLVLGN-UHFFFAOYSA-N
XLogP4.13
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol (CID 1067897) is 2-ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol is CCOc1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol?
The InChIKey is JWEXVGPAGLVLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-2-27-19-12-15(6-7-18(19)26)14-24-8-10-25(11-9-24)17-5-3-4-16(13-17)20(21,22)23/h3-7,12-13,26H,2,8-11,14H2,1H3.
What are the key properties of 2-ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol?
2-ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol has a molecular weight of 380.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 1067897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).