3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine

C15H16F3NO — CID 22495560

IUPAC3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine
SMILESCC1CNCCC1c1cc(C(F)(F)F)cc2ccoc12
InChIInChI=1S/C15H16F3NO/c1-9-8-19-4-2-12(9)13-7-11(15(16,17)18)6-10-3-5-20-14(10)13/h3,5-7,9,12,19H,2,4,8H2,1H3
InChIKeyXZWXSCAAZPWBAX-UHFFFAOYSA-N
MW283.29 g/mol
LogP4.16
Rot. Bonds1

About 3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine

3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine (PubChem CID 22495560) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine.

Molecular Properties

Compound Name3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine
PubChem CID22495560
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine
SMILESCC1CNCCC1c1cc(C(F)(F)F)cc2ccoc12
InChIInChI=1S/C15H16F3NO/c1-9-8-19-4-2-12(9)13-7-11(15(16,17)18)6-10-3-5-20-14(10)13/h3,5-7,9,12,19H,2,4,8H2,1H3
InChIKeyXZWXSCAAZPWBAX-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride
CID 20775596
(3S,4S)-4-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 69230877
(3R,4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 51353699
(2S)-2-methyl-1-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperazine
CID 23402450
4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 22495777
(3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 51353706
(3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 69231558
[4-(5-fluoro-1-benzofuran-7-yl)piperidin-3-yl]methanol
CID 22495771
4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 22495706
4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 22495554
3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride
CID 22495693
(3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 20775576

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine?
The IUPAC name of 3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine (CID 22495560) is 3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine.
What is the SMILES notation for 3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine?
The canonical SMILES for 3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine is CC1CNCCC1c1cc(C(F)(F)F)cc2ccoc12.
What is the InChIKey of 3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine?
The InChIKey is XZWXSCAAZPWBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-9-8-19-4-2-12(9)13-7-11(15(16,17)18)6-10-3-5-20-14(10)13/h3,5-7,9,12,19H,2,4,8H2,1H3.
What are the key properties of 3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine?
3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine has a molecular weight of 283.29 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine is sourced from PubChem (CID 22495560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).