4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride

C32H27ClF6N2O2 — CID 44527385

IUPAC4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride
SMILESCl.FC(F)(F)c1ccccc1OCc1cc(-c2ccncc2)c(COc2ccccc2C(F)(F)F)cc1C1=CCNCC1
InChIInChI=1S/C32H26F6N2O2.ClH/c33-31(34,35)27-5-1-3-7-29(27)41-19-23-17-26(22-11-15-40-16-12-22)24(18-25(23)21-9-13-39-14-10-21)20-42-30-8-4-2-6-28(30)32(36,37)38;/h1-11,13-14,17-18,40H,12,15-16,19-20H2;1H
InChIKeyQNMLDWSKODQGLI-UHFFFAOYSA-N
MW621.02 g/mol
LogP8.74
Rot. Bonds8

About 4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride

4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride (PubChem CID 44527385) has the molecular formula C32H27ClF6N2O2 and a molecular weight of 621.02 g/mol. Its IUPAC name is 4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride.

Molecular Properties

Compound Name4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride
PubChem CID44527385
Molecular FormulaC32H27ClF6N2O2
Molecular Weight621.02 g/mol
Exact Mass620.17
IUPAC Name4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride
SMILESCl.FC(F)(F)c1ccccc1OCc1cc(-c2ccncc2)c(COc2ccccc2C(F)(F)F)cc1C1=CCNCC1
InChIInChI=1S/C32H26F6N2O2.ClH/c33-31(34,35)27-5-1-3-7-29(27)41-19-23-17-26(22-11-15-40-16-12-22)24(18-25(23)21-9-13-39-14-10-21)20-42-30-8-4-2-6-28(30)32(36,37)38;/h1-11,13-14,17-18,40H,12,15-16,19-20H2;1H
InChIKeyQNMLDWSKODQGLI-UHFFFAOYSA-N
XLogP8.74
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.02
LogP ≤ 58.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride?
The IUPAC name of 4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride (CID 44527385) is 4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride.
What is the SMILES notation for 4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride?
The canonical SMILES for 4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride is Cl.FC(F)(F)c1ccccc1OCc1cc(-c2ccncc2)c(COc2ccccc2C(F)(F)F)cc1C1=CCNCC1.
What is the InChIKey of 4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride?
The InChIKey is QNMLDWSKODQGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F6N2O2.ClH/c33-31(34,35)27-5-1-3-7-29(27)41-19-23-17-26(22-11-15-40-16-12-22)24(18-25(23)21-9-13-39-14-10-21)20-42-30-8-4-2-6-28(30)32(36,37)38;/h1-11,13-14,17-18,40H,12,15-16,19-20H2;1H.
What are the key properties of 4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride?
4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride has a molecular weight of 621.02 g/mol, XLogP of 8.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,2,3,6-tetrahydropyridin-4-yl)-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]phenyl]pyridine;hydrochloride is sourced from PubChem (CID 44527385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).