1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine

C20H23F3N2O2 — CID 2845250

IUPAC1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESCCOc1ccccc1N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C20H23F3N2O2/c1-2-26-19-6-4-3-5-18(19)25-13-11-24(12-14-25)15-16-7-9-17(10-8-16)27-20(21,22)23/h3-10H,2,11-15H2,1H3
InChIKeyVSJZIHQRTHMAAU-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.31
Rot. Bonds6

About 1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine

1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine (PubChem CID 2845250) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
PubChem CID2845250
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
SMILESCCOc1ccccc1N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C20H23F3N2O2/c1-2-26-19-6-4-3-5-18(19)25-13-11-24(12-14-25)15-16-7-9-17(10-8-16)27-20(21,22)23/h3-10H,2,11-15H2,1H3
InChIKeyVSJZIHQRTHMAAU-UHFFFAOYSA-N
XLogP4.31
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol
CID 23081158
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 754014
1-(2-ethoxyphenyl)-4-[(4-nitrophenyl)methyl]piperazine
CID 791208
2,6-ditert-butyl-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 2095519
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
1-(2-ethoxyphenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 2846107
2-bromo-4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxyphenol
CID 1376813
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71678171
1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 23373749
2-(2-methoxyphenyl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 60506594

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine (CID 2845250) is 1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine is CCOc1ccccc1N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine?
The InChIKey is VSJZIHQRTHMAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-2-26-19-6-4-3-5-18(19)25-13-11-24(12-14-25)15-16-7-9-17(10-8-16)27-20(21,22)23/h3-10H,2,11-15H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine?
1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine has a molecular weight of 380.41 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 2845250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).