1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride

C10H14ClF3N2S — CID 120833623

IUPAC1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(CN2CCNCC2)s1
InChIInChI=1S/C10H13F3N2S.ClH/c11-10(12,13)9-2-1-8(16-9)7-15-5-3-14-4-6-15;/h1-2,14H,3-7H2;1H
InChIKeyOTXTZHABSVUUJH-UHFFFAOYSA-N
MW286.75 g/mol
LogP2.59
Rot. Bonds2

About 1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride

1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride (PubChem CID 120833623) has the molecular formula C10H14ClF3N2S and a molecular weight of 286.75 g/mol. Its IUPAC name is 1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride
PubChem CID120833623
Molecular FormulaC10H14ClF3N2S
Molecular Weight286.75 g/mol
Exact Mass286.05
IUPAC Name1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(CN2CCNCC2)s1
InChIInChI=1S/C10H13F3N2S.ClH/c11-10(12,13)9-2-1-8(16-9)7-15-5-3-14-4-6-15;/h1-2,14H,3-7H2;1H
InChIKeyOTXTZHABSVUUJH-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.75
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120847238
1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane
CID 24704411
2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-thiazole
CID 120833610
3-[[5-(trifluoromethyl)thiophen-2-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane
CID 120845684
1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine
CID 117484104
1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine
CID 117196518
1-[[5-(1,2,4-triazol-4-yl)thiophen-2-yl]methyl]piperazine
CID 82511741
5-(piperazin-1-ylmethyl)thiadiazole
CID 65215143
[5-(trifluoromethyl)thiophen-2-yl]methanamine;hydrochloride
CID 126796868
N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine
CID 120835729
1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride
CID 120833629
1-(thiophen-2-ylmethyl)piperazine
CID 566208

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride (CID 120833623) is 1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride is Cl.FC(F)(F)c1ccc(CN2CCNCC2)s1.
What is the InChIKey of 1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride?
The InChIKey is OTXTZHABSVUUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S.ClH/c11-10(12,13)9-2-1-8(16-9)7-15-5-3-14-4-6-15;/h1-2,14H,3-7H2;1H.
What are the key properties of 1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride?
1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride has a molecular weight of 286.75 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 120833623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).