2-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine

C15H16F3NO — CID 22495599

IUPAC2-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine
SMILESCC1CC(c2ccc(C(F)(F)F)c3ccoc23)CCN1
InChIInChI=1S/C15H16F3NO/c1-9-8-10(4-6-19-9)11-2-3-13(15(16,17)18)12-5-7-20-14(11)12/h2-3,5,7,9-10,19H,4,6,8H2,1H3
InChIKeyIHJRDXLNEIIMRY-UHFFFAOYSA-N
MW283.29 g/mol
LogP4.31
Rot. Bonds1

About 2-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine

2-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine (PubChem CID 22495599) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine.

Molecular Properties

Compound Name2-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine
PubChem CID22495599
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name2-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine
SMILESCC1CC(c2ccc(C(F)(F)F)c3ccoc23)CCN1
InChIInChI=1S/C15H16F3NO/c1-9-8-10(4-6-19-9)11-2-3-13(15(16,17)18)12-5-7-20-14(11)12/h2-3,5,7,9-10,19H,4,6,8H2,1H3
InChIKeyIHJRDXLNEIIMRY-UHFFFAOYSA-N
XLogP4.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine?
The IUPAC name of 2-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine (CID 22495599) is 2-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine.
What is the SMILES notation for 2-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine?
The canonical SMILES for 2-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine is CC1CC(c2ccc(C(F)(F)F)c3ccoc23)CCN1.
What is the InChIKey of 2-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine?
The InChIKey is IHJRDXLNEIIMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-9-8-10(4-6-19-9)11-2-3-13(15(16,17)18)12-5-7-20-14(11)12/h2-3,5,7,9-10,19H,4,6,8H2,1H3.
What are the key properties of 2-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine?
2-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine has a molecular weight of 283.29 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine is sourced from PubChem (CID 22495599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).