1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine

C14H15F3N2S — CID 117484104

IUPAC1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine
SMILESFC(F)(F)c1cc2cc(CN3CCNCC3)ccc2s1
InChIInChI=1S/C14H15F3N2S/c15-14(16,17)13-8-11-7-10(1-2-12(11)20-13)9-19-5-3-18-4-6-19/h1-2,7-8,18H,3-6,9H2
InChIKeyAMPOINJEFKCYQO-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.33
Rot. Bonds2

About 1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine

1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine (PubChem CID 117484104) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine
PubChem CID117484104
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine
SMILESFC(F)(F)c1cc2cc(CN3CCNCC3)ccc2s1
InChIInChI=1S/C14H15F3N2S/c15-14(16,17)13-8-11-7-10(1-2-12(11)20-13)9-19-5-3-18-4-6-19/h1-2,7-8,18H,3-6,9H2
InChIKeyAMPOINJEFKCYQO-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride
CID 120833623
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
3-methyl-6-(piperazin-1-ylmethyl)-1,3-benzothiazol-2-one;hydrochloride
CID 120833648
2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-thiazole
CID 120833610
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine
CID 117196518
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 138985666
1-[4-(2-methyl-1-benzothiophen-5-yl)butyl]piperazine
CID 143693130
1-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 19618115
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906053
5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)benzohydrazide
CID 151099376

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine?
The IUPAC name of 1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine (CID 117484104) is 1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine.
What is the SMILES notation for 1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine?
The canonical SMILES for 1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine is FC(F)(F)c1cc2cc(CN3CCNCC3)ccc2s1.
What is the InChIKey of 1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine?
The InChIKey is AMPOINJEFKCYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c15-14(16,17)13-8-11-7-10(1-2-12(11)20-13)9-19-5-3-18-4-6-19/h1-2,7-8,18H,3-6,9H2.
What are the key properties of 1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine?
1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine has a molecular weight of 300.35 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine is sourced from PubChem (CID 117484104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).