(2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine

C14H15F3N2O — CID 23402450

IUPAC(2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine
SMILESC[C@H]1CNCCN1c1cc(C(F)(F)F)cc2ccoc12
InChIInChI=1S/C14H15F3N2O/c1-9-8-18-3-4-19(9)12-7-11(14(15,16)17)6-10-2-5-20-13(10)12/h2,5-7,9,18H,3-4,8H2,1H3/t9-/m0/s1
InChIKeyWYSWKELDPCCJJT-VIFPVBQESA-N
MW284.28 g/mol
LogP3.25
Rot. Bonds1

About (2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine

(2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine (PubChem CID 23402450) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is (2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine
PubChem CID23402450
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name(2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine
SMILESC[C@H]1CNCCN1c1cc(C(F)(F)F)cc2ccoc12
InChIInChI=1S/C14H15F3N2O/c1-9-8-18-3-4-19(9)12-7-11(14(15,16)17)6-10-2-5-20-13(10)12/h2,5-7,9,18H,3-4,8H2,1H3/t9-/m0/s1
InChIKeyWYSWKELDPCCJJT-VIFPVBQESA-N
XLogP3.25
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-Benzofuran-7-yl-piperazin-1-yl)-ethyl]-4-fluoro-benzamide
CID 9999042
1-benzo-[b]furan-7-yl-4[3-(4-fluorobenzoyl)propyl]piperzine HCl
CID 14198563
1-Benzofuran-7-yl-4-pentyl-piperazine
CID 14960345
Befiperide
CID 182859
Cyclohexanecarboxylic acid [2-(4-benzofuran-7-yl-piperazin-1-yl)-ethyl]-amide
CID 9975506
1-Benzofuran-7-yl-4-hexyl-piperazine
CID 14960340
1-(1-Benzofuran-7-yl)-4-(2-phenylethyl)piperazine;hydrochloride
CID 45261095
1-(1-Benzofuran-7-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride
CID 45261097
1-(1-Benzofuran-7-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride
CID 45261116
N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide;hydrochloride
CID 45261167
1-(6-Fluoro-benzofuran-7-yl)-piperazine
CID 10059313
1-(1-Benzofuran-7-yl)-4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine
CID 10088157

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine?
The IUPAC name of (2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine (CID 23402450) is (2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine.
What is the SMILES notation for (2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine?
The canonical SMILES for (2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine is C[C@H]1CNCCN1c1cc(C(F)(F)F)cc2ccoc12.
What is the InChIKey of (2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine?
The InChIKey is WYSWKELDPCCJJT-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-9-8-18-3-4-19(9)12-7-11(14(15,16)17)6-10-2-5-20-13(10)12/h2,5-7,9,18H,3-4,8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine?
(2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine has a molecular weight of 284.28 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine is sourced from PubChem (CID 23402450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).