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

C21H22F3N3O — CID 24801459

IUPAC6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(C#N)n2)(c2ccccc2)CC1
InChIInChI=1S/C21H22F3N3O/c1-27-9-7-20(8-10-27,16-5-3-2-4-6-16)15-28-14-19-12-17(21(22,23)24)11-18(13-25)26-19/h2-6,11-12H,7-10,14-15H2,1H3
InChIKeyCQJXBNDZWCFOLX-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.15
Rot. Bonds5

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

6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 24801459) has the molecular formula C21H22F3N3O and a molecular weight of 389.42 g/mol. Its IUPAC name is 6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID24801459
Molecular FormulaC21H22F3N3O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC Name6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(C#N)n2)(c2ccccc2)CC1
InChIInChI=1S/C21H22F3N3O/c1-27-9-7-20(8-10-27,16-5-3-2-4-6-16)15-28-14-19-12-17(21(22,23)24)11-18(13-25)26-19/h2-6,11-12H,7-10,14-15H2,1H3
InChIKeyCQJXBNDZWCFOLX-UHFFFAOYSA-N
XLogP4.15
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile 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 6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile (CID 24801459) is 6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile is CN1CCC(COCc2cc(C(F)(F)F)cc(C#N)n2)(c2ccccc2)CC1.
What is the InChIKey of 6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is CQJXBNDZWCFOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O/c1-27-9-7-20(8-10-27,16-5-3-2-4-6-16)15-28-14-19-12-17(21(22,23)24)11-18(13-25)26-19/h2-6,11-12H,7-10,14-15H2,1H3.
What are the key properties of 6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile?
6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 389.42 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyl-4-phenylpiperidin-4-yl)methoxymethyl]-4-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 24801459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).