2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile

C20H18F3N3O — CID 58873804

IUPAC2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(=O)C1(c2ccccc2)CCN(c2nc(C(F)(F)F)ccc2C#N)CC1
InChIInChI=1S/C20H18F3N3O/c1-14(27)19(16-5-3-2-4-6-16)9-11-26(12-10-19)18-15(13-24)7-8-17(25-18)20(21,22)23/h2-8H,9-12H2,1H3
InChIKeyABLZYTLBLRJCJE-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.10
Rot. Bonds3

About 2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 58873804) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID58873804
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(=O)C1(c2ccccc2)CCN(c2nc(C(F)(F)F)ccc2C#N)CC1
InChIInChI=1S/C20H18F3N3O/c1-14(27)19(16-5-3-2-4-6-16)9-11-26(12-10-19)18-15(13-24)7-8-17(25-18)20(21,22)23/h2-8H,9-12H2,1H3
InChIKeyABLZYTLBLRJCJE-UHFFFAOYSA-N
XLogP4.10
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 58873804) is 2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile is CC(=O)C1(c2ccccc2)CCN(c2nc(C(F)(F)F)ccc2C#N)CC1.
What is the InChIKey of 2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is ABLZYTLBLRJCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-14(27)19(16-5-3-2-4-6-16)9-11-26(12-10-19)18-15(13-24)7-8-17(25-18)20(21,22)23/h2-8H,9-12H2,1H3.
What are the key properties of 2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 373.38 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-4-phenylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 58873804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).