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

C19H22ClF3N2 — CID 76852194

IUPAC1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(N2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C19H21F3N2.ClH/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;1H
InChIKeyAEVKKQKSKNZLNU-UHFFFAOYSA-N
MW370.85 g/mol
LogP4.49
Rot. Bonds4

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

1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride (PubChem CID 76852194) has the molecular formula C19H22ClF3N2 and a molecular weight of 370.85 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
PubChem CID76852194
Molecular FormulaC19H22ClF3N2
Molecular Weight370.85 g/mol
Exact Mass370.14
IUPAC Name1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(N2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C19H21F3N2.ClH/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;1H
InChIKeyAEVKKQKSKNZLNU-UHFFFAOYSA-N
XLogP4.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.85
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
(4Z)-4-hydroxyimino-4-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]butanoic acid
CID 88608475
1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2846572
acetic acid;(4-chlorophenyl)-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanone
CID 70606951
1-[2-(3-hexyl-4-methylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 66907897
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
CID 3051828
2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8547900
acetyl-diphenyl-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]azanium;hydrochloride
CID 70555088
6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-1,3-benzothiazol-2-one
CID 10645076

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The IUPAC name of 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride (CID 76852194) is 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The canonical SMILES for 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride is Cl.FC(F)(F)c1cccc(N2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
The InChIKey is AEVKKQKSKNZLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2.ClH/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;1H.
What are the key properties of 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride?
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride has a molecular weight of 370.85 g/mol, XLogP of 4.49, 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;hydrochloride is sourced from PubChem (CID 76852194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).