1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

C19H21F3N2 — CID 2845594

IUPAC1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C19H21F3N2/c20-19(21,22)17-7-4-8-18(15-17)24-13-11-23(12-14-24)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2
InChIKeySQJJIPWVYJPFNA-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.07
Rot. Bonds4

About 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 2845594) has the molecular formula C19H21F3N2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID2845594
Molecular FormulaC19H21F3N2
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C19H21F3N2/c20-19(21,22)17-7-4-8-18(15-17)24-13-11-23(12-14-24)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2
InChIKeySQJJIPWVYJPFNA-UHFFFAOYSA-N
XLogP4.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine (CID 2845594) is 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is SQJJIPWVYJPFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2/c20-19(21,22)17-7-4-8-18(15-17)24-13-11-23(12-14-24)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2.
What are the key properties of 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 334.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 2845594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).