2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine

C25H26F3N3O — CID 24801276

IUPAC2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(-c3ccncc3)n2)(c2ccccc2)CC1
InChIInChI=1S/C25H26F3N3O/c1-31-13-9-24(10-14-31,20-5-3-2-4-6-20)18-32-17-22-15-21(25(26,27)28)16-23(30-22)19-7-11-29-12-8-19/h2-8,11-12,15-16H,9-10,13-14,17-18H2,1H3
InChIKeyKMGAIGOGCWXUDS-UHFFFAOYSA-N
MW441.50 g/mol
LogP5.34
Rot. Bonds6

About 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine

2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine (PubChem CID 24801276) has the molecular formula C25H26F3N3O and a molecular weight of 441.50 g/mol. Its IUPAC name is 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
PubChem CID24801276
Molecular FormulaC25H26F3N3O
Molecular Weight441.50 g/mol
Exact Mass441.20
IUPAC Name2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(-c3ccncc3)n2)(c2ccccc2)CC1
InChIInChI=1S/C25H26F3N3O/c1-31-13-9-24(10-14-31,20-5-3-2-4-6-20)18-32-17-22-15-21(25(26,27)28)16-23(30-22)19-7-11-29-12-8-19/h2-8,11-12,15-16H,9-10,13-14,17-18H2,1H3
InChIKeyKMGAIGOGCWXUDS-UHFFFAOYSA-N
XLogP5.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.50
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine (CID 24801276) is 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine is CN1CCC(COCc2cc(C(F)(F)F)cc(-c3ccncc3)n2)(c2ccccc2)CC1.
What is the InChIKey of 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine?
The InChIKey is KMGAIGOGCWXUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O/c1-31-13-9-24(10-14-31,20-5-3-2-4-6-20)18-32-17-22-15-21(25(26,27)28)16-23(30-22)19-7-11-29-12-8-19/h2-8,11-12,15-16H,9-10,13-14,17-18H2,1H3.
What are the key properties of 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine?
2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine has a molecular weight of 441.50 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-6-pyridin-4-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 24801276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).