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

C19H21F3N2O — CID 143117253

IUPAC1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine
SMILESFC(F)(F)c1ccc(OC(CN2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)16-6-8-17(9-7-16)25-18(15-4-2-1-3-5-15)14-24-12-10-23-11-13-24/h1-9,18,23H,10-14H2
InChIKeyYRCSHQOMKRLJCS-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.73
Rot. Bonds5

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

1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine (PubChem CID 143117253) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine
PubChem CID143117253
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine
SMILESFC(F)(F)c1ccc(OC(CN2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)16-6-8-17(9-7-16)25-18(15-4-2-1-3-5-15)14-24-12-10-23-11-13-24/h1-9,18,23H,10-14H2
InChIKeyYRCSHQOMKRLJCS-UHFFFAOYSA-N
XLogP3.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 11512090
1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride
CID 11605620
1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 117068544
1-(3-chloro-1-phenylpropoxy)-4-(trifluoromethyl)benzene
CID 12851437
2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 4311567
1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene
CID 11130099
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 3058750
1-(2-methoxy-2-phenylethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171335225
N-chloro-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 54285023
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium
CID 15940193
1-(2-phenyl-2-pyridin-4-ylethyl)piperazine
CID 70241433

Frequently Asked Questions

What is the IUPAC name of 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine?
The IUPAC name of 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine (CID 143117253) is 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine.
What is the SMILES notation for 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine?
The canonical SMILES for 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine is FC(F)(F)c1ccc(OC(CN2CCNCC2)c2ccccc2)cc1.
What is the InChIKey of 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine?
The InChIKey is YRCSHQOMKRLJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c20-19(21,22)16-6-8-17(9-7-16)25-18(15-4-2-1-3-5-15)14-24-12-10-23-11-13-24/h1-9,18,23H,10-14H2.
What are the key properties of 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine?
1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine has a molecular weight of 350.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine is sourced from PubChem (CID 143117253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).