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

C15H21F3N2 — CID 170862295

IUPAC1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine
SMILESCN1CCN(CCCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2/c1-19-9-11-20(12-10-19)8-4-6-13-5-2-3-7-14(13)15(16,17)18/h2-3,5,7H,4,6,8-12H2,1H3
InChIKeyZKELXQBQIDYSCO-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.89
Rot. Bonds4

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

1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine (PubChem CID 170862295) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine
PubChem CID170862295
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine
SMILESCN1CCN(CCCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2/c1-19-9-11-20(12-10-19)8-4-6-13-5-2-3-7-14(13)15(16,17)18/h2-3,5,7H,4,6,8-12H2,1H3
InChIKeyZKELXQBQIDYSCO-UHFFFAOYSA-N
XLogP2.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 66985068
1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
CID 170862929
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
1-methyl-4-[3-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine
CID 170863077
4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine
CID 145108028
4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-amine
CID 80503081
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
2-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonic acid
CID 170862354
2-bromo-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone
CID 19004319
4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine
CID 141379171
1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862945
1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone
CID 59382207

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine (CID 170862295) is 1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine is CN1CCN(CCCc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine?
The InChIKey is ZKELXQBQIDYSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-19-9-11-20(12-10-19)8-4-6-13-5-2-3-7-14(13)15(16,17)18/h2-3,5,7H,4,6,8-12H2,1H3.
What are the key properties of 1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine?
1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine has a molecular weight of 286.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine is sourced from PubChem (CID 170862295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).