1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride

C26H28ClF3N2O2 — CID 11605620

IUPAC1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride
SMILESCOc1ccccc1N1CCN(CC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C26H27F3N2O2.ClH/c1-32-24-10-6-5-9-23(24)31-17-15-30(16-18-31)19-25(20-7-3-2-4-8-20)33-22-13-11-21(12-14-22)26(27,28)29;/h2-14,25H,15-19H2,1H3;1H
InChIKeyXEOOMIBUKCIMBX-UHFFFAOYSA-N
MW492.97 g/mol
LogP6.08
Rot. Bonds7

About 1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride

1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride (PubChem CID 11605620) has the molecular formula C26H28ClF3N2O2 and a molecular weight of 492.97 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride
PubChem CID11605620
Molecular FormulaC26H28ClF3N2O2
Molecular Weight492.97 g/mol
Exact Mass492.18
IUPAC Name1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride
SMILESCOc1ccccc1N1CCN(CC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C26H27F3N2O2.ClH/c1-32-24-10-6-5-9-23(24)31-17-15-30(16-18-31)19-25(20-7-3-2-4-8-20)33-22-13-11-21(12-14-22)26(27,28)29;/h2-14,25H,15-19H2,1H3;1H
InChIKeyXEOOMIBUKCIMBX-UHFFFAOYSA-N
XLogP6.08
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.97
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine
CID 58057984
1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 11512090
1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine
CID 143117253
1-(4-tert-butylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16807037
1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171335225
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 18956031
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
(2R)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 27532210
1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine
CID 46068807
1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 117068544
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylethyl]carbamic acid
CID 19433569

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride?
The IUPAC name of 1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride (CID 11605620) is 1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride is COc1ccccc1N1CCN(CC(Oc2ccc(C(F)(F)F)cc2)c2ccccc2)CC1.Cl.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride?
The InChIKey is XEOOMIBUKCIMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O2.ClH/c1-32-24-10-6-5-9-23(24)31-17-15-30(16-18-31)19-25(20-7-3-2-4-8-20)33-22-13-11-21(12-14-22)26(27,28)29;/h2-14,25H,15-19H2,1H3;1H.
What are the key properties of 1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride?
1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride has a molecular weight of 492.97 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride is sourced from PubChem (CID 11605620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).