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

C15H21F3N2S — CID 170863077

IUPAC1-methyl-4-[3-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine
SMILESCN1CCN(CCCc2ccccc2SC(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2S/c1-19-9-11-20(12-10-19)8-4-6-13-5-2-3-7-14(13)21-15(16,17)18/h2-3,5,7H,4,6,8-12H2,1H3
InChIKeyTUYCHTGLSHCOAQ-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.48
Rot. Bonds5

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

1-methyl-4-[3-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine (PubChem CID 170863077) has the molecular formula C15H21F3N2S and a molecular weight of 318.41 g/mol. Its IUPAC name is 1-methyl-4-[3-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine
PubChem CID170863077
Molecular FormulaC15H21F3N2S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC Name1-methyl-4-[3-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine
SMILESCN1CCN(CCCc2ccccc2SC(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2S/c1-19-9-11-20(12-10-19)8-4-6-13-5-2-3-7-14(13)21-15(16,17)18/h2-3,5,7H,4,6,8-12H2,1H3
InChIKeyTUYCHTGLSHCOAQ-UHFFFAOYSA-N
XLogP3.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine
CID 170862295
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
2-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonic acid
CID 170862354
1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862945
3-[2-(trifluoromethylsulfanyl)phenyl]propanal
CID 166641171
1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
CID 170862929
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine
CID 170862374
(E)-3-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]prop-2-enoic acid
CID 170863220
2-[3-(4-methylpiperazin-1-yl)propyl]-4-(trifluoromethoxy)aniline
CID 170863398
1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole
CID 170862469

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine (CID 170863077) is 1-methyl-4-[3-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine is CN1CCN(CCCc2ccccc2SC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-[3-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine?
The InChIKey is TUYCHTGLSHCOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2S/c1-19-9-11-20(12-10-19)8-4-6-13-5-2-3-7-14(13)21-15(16,17)18/h2-3,5,7H,4,6,8-12H2,1H3.
What are the key properties of 1-methyl-4-[3-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine?
1-methyl-4-[3-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine has a molecular weight of 318.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[2-(trifluoromethylsulfanyl)phenyl]propyl]piperazine is sourced from PubChem (CID 170863077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).