1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C21H23F3N2 — CID 1376188

IUPAC1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESC/C(=C/c1ccccc1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H23F3N2/c1-17(14-18-6-3-2-4-7-18)16-25-10-12-26(13-11-25)20-9-5-8-19(15-20)21(22,23)24/h2-9,14-15H,10-13,16H2,1H3/b17-14-
InChIKeyUOOHIEVBGWOZBE-VKAVYKQESA-N
MW360.42 g/mol
LogP4.93
Rot. Bonds4

About 1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 1376188) has the molecular formula C21H23F3N2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID1376188
Molecular FormulaC21H23F3N2
Molecular Weight360.42 g/mol
Exact Mass360.18
IUPAC Name1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESC/C(=C/c1ccccc1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H23F3N2/c1-17(14-18-6-3-2-4-7-18)16-25-10-12-26(13-11-25)20-9-5-8-19(15-20)21(22,23)24/h2-9,14-15H,10-13,16H2,1H3/b17-14-
InChIKeyUOOHIEVBGWOZBE-VKAVYKQESA-N
XLogP4.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 74813973
2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 61075067
N-(1-phenylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199208
N-(2-methyl-4-oxopentan-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 51111743
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194
acetyl-diphenyl-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]azanium;hydrochloride
CID 70555088
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
(Z)-but-2-enedioic acid;N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]acetamide
CID 15942812
N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride
CID 171700191
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887
N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199190

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 1376188) is 1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine is C/C(=C/c1ccccc1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is UOOHIEVBGWOZBE-VKAVYKQESA-N. The full InChI is InChI=1S/C21H23F3N2/c1-17(14-18-6-3-2-4-7-18)16-25-10-12-26(13-11-25)20-9-5-8-19(15-20)21(22,23)24/h2-9,14-15H,10-13,16H2,1H3/b17-14-.
What are the key properties of 1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 360.42 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 1376188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).