2-[3-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine

C23H23F3N2OS — CID 118628491

IUPAC2-[3-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine
SMILESFC(F)(F)CN1CCC(c2ccc(OCc3ccsc3-c3ccccn3)cc2)CC1
InChIInChI=1S/C23H23F3N2OS/c24-23(25,26)16-28-12-8-18(9-13-28)17-4-6-20(7-5-17)29-15-19-10-14-30-22(19)21-3-1-2-11-27-21/h1-7,10-11,14,18H,8-9,12-13,15-16H2
InChIKeyMOGJZCSFVLUYSG-UHFFFAOYSA-N
MW432.51 g/mol
LogP6.13
Rot. Bonds6

About 2-[3-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine

2-[3-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine (PubChem CID 118628491) has the molecular formula C23H23F3N2OS and a molecular weight of 432.51 g/mol. Its IUPAC name is 2-[3-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-[3-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine
PubChem CID118628491
Molecular FormulaC23H23F3N2OS
Molecular Weight432.51 g/mol
Exact Mass432.15
IUPAC Name2-[3-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine
SMILESFC(F)(F)CN1CCC(c2ccc(OCc3ccsc3-c3ccccn3)cc2)CC1
InChIInChI=1S/C23H23F3N2OS/c24-23(25,26)16-28-12-8-18(9-13-28)17-4-6-20(7-5-17)29-15-19-10-14-30-22(19)21-3-1-2-11-27-21/h1-7,10-11,14,18H,8-9,12-13,15-16H2
InChIKeyMOGJZCSFVLUYSG-UHFFFAOYSA-N
XLogP6.13
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine?
The IUPAC name of 2-[3-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine (CID 118628491) is 2-[3-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine.
What is the SMILES notation for 2-[3-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine?
The canonical SMILES for 2-[3-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine is FC(F)(F)CN1CCC(c2ccc(OCc3ccsc3-c3ccccn3)cc2)CC1.
What is the InChIKey of 2-[3-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine?
The InChIKey is MOGJZCSFVLUYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2OS/c24-23(25,26)16-28-12-8-18(9-13-28)17-4-6-20(7-5-17)29-15-19-10-14-30-22(19)21-3-1-2-11-27-21/h1-7,10-11,14,18H,8-9,12-13,15-16H2.
What are the key properties of 2-[3-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine?
2-[3-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine has a molecular weight of 432.51 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenoxy]methyl]thiophen-2-yl]pyridine is sourced from PubChem (CID 118628491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).