1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)piperazine

C10H13F3N2S — CID 115101317

IUPAC1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)piperazine
SMILESCc1ccc(N2CCNCC2C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2S/c1-7-2-3-9(16-7)15-5-4-14-6-8(15)10(11,12)13/h2-3,8,14H,4-6H2,1H3
InChIKeyVTJVPWGQZWQGLI-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.40
Rot. Bonds1

About 1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)piperazine

1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)piperazine (PubChem CID 115101317) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)piperazine
PubChem CID115101317
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)piperazine
SMILESCc1ccc(N2CCNCC2C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2S/c1-7-2-3-9(16-7)15-5-4-14-6-8(15)10(11,12)13/h2-3,8,14H,4-6H2,1H3
InChIKeyVTJVPWGQZWQGLI-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-Difluoropiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 58227986
N-Methyl-5-(trifluoromethyl)thiophen-2-amine
CID 86718388
1-[5-(Trifluoromethyl)thiophen-2-yl]piperazine
CID 145646271
5-[(3-Amino-1,1,1-trifluoropropan-2-yl)amino]thiophene-2-carbonitrile
CID 178763364
1-(5-Methylthiophen-2-yl)piperidine
CID 12181849
5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine
CID 134884378
1-(2-Fluorophenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium
CID 6939373
1-(4-Fluorophenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium
CID 6939529
[2-Oxo-2-[[5-(trifluoromethyl)thiophen-2-yl]amino]ethyl] 4-methylpiperazin-4-ium-1-carbodithioate
CID 9458467
[2-Oxo-2-[[5-(trifluoromethyl)thiophen-2-yl]amino]ethyl] 4-methylpiperazine-1-carbodithioate
CID 9458468
N'-(2,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 28772128
N'-(3,4-difluorophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 28772162

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)piperazine (CID 115101317) is 1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)piperazine is Cc1ccc(N2CCNCC2C(F)(F)F)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)piperazine?
The InChIKey is VTJVPWGQZWQGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c1-7-2-3-9(16-7)15-5-4-14-6-8(15)10(11,12)13/h2-3,8,14H,4-6H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)piperazine?
1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)piperazine has a molecular weight of 250.29 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 115101317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).