1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine

C14H15F3N2S — CID 117196518

IUPAC1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine
SMILESFC(F)(F)c1cccc2cc(CN3CCNCC3)sc12
InChIInChI=1S/C14H15F3N2S/c15-14(16,17)12-3-1-2-10-8-11(20-13(10)12)9-19-6-4-18-5-7-19/h1-3,8,18H,4-7,9H2
InChIKeyNNGKVOPWHDKQIZ-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.33
Rot. Bonds2

About 1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine

1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine (PubChem CID 117196518) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine
PubChem CID117196518
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine
SMILESFC(F)(F)c1cccc2cc(CN3CCNCC3)sc12
InChIInChI=1S/C14H15F3N2S/c15-14(16,17)12-3-1-2-10-8-11(20-13(10)12)9-19-6-4-18-5-7-19/h1-3,8,18H,4-7,9H2
InChIKeyNNGKVOPWHDKQIZ-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

[2-(piperazin-1-ylmethyl)-1-benzothiophen-7-yl]methanamine
CID 117183148
2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenol
CID 84710181
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine
CID 66842407
1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperazine;hydrochloride
CID 120833623
4-[2-(piperazin-1-ylmethyl)thieno[2,3-c]pyridin-7-yl]morpholine
CID 121395999
1-[(7-methyl-1-benzothiophen-2-yl)methyl]azepane
CID 117186431
1-[[2-(trifluoromethyl)-1-benzothiophen-5-yl]methyl]piperazine
CID 117484104
4-[(7-bromo-1-benzothiophen-2-yl)methyl]morpholine
CID 117183219
1-[(6-bromo-1-benzothiophen-2-yl)methyl]piperazine
CID 82667803
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 134413230
2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide
CID 135203299

Frequently Asked Questions

What is the IUPAC name of 1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine?
The IUPAC name of 1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine (CID 117196518) is 1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine?
The canonical SMILES for 1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine is FC(F)(F)c1cccc2cc(CN3CCNCC3)sc12.
What is the InChIKey of 1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine?
The InChIKey is NNGKVOPWHDKQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c15-14(16,17)12-3-1-2-10-8-11(20-13(10)12)9-19-6-4-18-5-7-19/h1-3,8,18H,4-7,9H2.
What are the key properties of 1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine?
1-[[7-(trifluoromethyl)-1-benzothiophen-2-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-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine is sourced from PubChem (CID 117196518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).