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

C23H28ClF3N4O — CID 171774241

IUPAC2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride
SMILESCC1=C(c2cncc(N3CCCC(COc4ccccc4C(F)(F)F)C3)n2)CCNC1.Cl
InChIInChI=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
InChIKeySYUVPADPQHBRAK-UHFFFAOYSA-N
MW468.95 g/mol
LogP4.98
Rot. Bonds5

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 Name2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride
PubChem CID171774241
Molecular FormulaC23H28ClF3N4O
Molecular Weight468.95 g/mol
Exact Mass468.19
IUPAC Name2-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)-6-[3-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazine;hydrochloride
SMILESCC1=C(c2cncc(N3CCCC(COc4ccccc4C(F)(F)F)C3)n2)CCNC1.Cl
InChIInChI=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
InChIKeySYUVPADPQHBRAK-UHFFFAOYSA-N
XLogP4.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.95
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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).