2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride

C₂₃H₂₈ClF₃N₄O — CID 171774241

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

2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride (PubChem CID 171774241) has the molecular formula C₂₃H₂₈ClF₃N₄O and a molecular weight of 468.95 g/mol. Its IUPAC name is 2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride.

Molecular Properties

• Compound Name: 2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride
• PubChem CID: 171774241
• Molecular Formula: C₂₃H₂₈ClF₃N₄O
• Molecular Weight: 468.95 g/mol
• Exact Mass: 468.19
• IUPAC Name: 2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride
• SMILES: CC1=C(c2cncc(N3CCCC(COc4ccccc4C(F)(F)F)C3)n2)CCNC1.Cl
• InChI: InChI=1S/C23H27F3N4O.ClH/c1-16-11-27-9-8-18(16)20-12-28-13-22(29-20)30-10-4-5-17(14-30)15-31-21-7-3-2-6-19(21)23(24,25)26;/h2-3,6-7,12-13,17,27H,4-5,8-11,14-15H2,1H3;1H
• InChIKey: SYUVPADPQHBRAK-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 50.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.95
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride?

The IUPAC name of 2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride (CID 171774241) is 2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride.

What is the SMILES notation for 2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride?

The canonical SMILES for 2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride is CC1=C(c2cncc(N3CCCC(COc4ccccc4C(F)(F)F)C3)n2)CCNC1.Cl.

What is the InChIKey of 2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride?

The InChIKey is SYUVPADPQHBRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O.ClH/c1-16-11-27-9-8-18(16)20-12-28-13-22(29-20)30-10-4-5-17(14-30)15-31-21-7-3-2-6-19(21)23(24,25)26;/h2-3,6-7,12-13,17,27H,4-5,8-11,14-15H2,1H3;1H.

What are the key properties of 2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride?

2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride has a molecular weight of 468.95 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride is sourced from PubChem (CID 171774241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171774241 — identifiers, structure, computed properties (public domain)

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