(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone

C21H23F3N2O2 — CID 58210720

IUPAC(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone
SMILESCC1(C)CCCN(C(=O)c2cccc(COc3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C21H23F3N2O2/c1-20(2)10-5-11-26(14-20)19(27)18-9-4-7-16(25-18)13-28-17-8-3-6-15(12-17)21(22,23)24/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3
InChIKeyWYTNGGCYVXUWOE-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.94
Rot. Bonds4

About (3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone

(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone (PubChem CID 58210720) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is (3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone
PubChem CID58210720
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone
SMILESCC1(C)CCCN(C(=O)c2cccc(COc3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C21H23F3N2O2/c1-20(2)10-5-11-26(14-20)19(27)18-9-4-7-16(25-18)13-28-17-8-3-6-15(12-17)21(22,23)24/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3
InChIKeyWYTNGGCYVXUWOE-UHFFFAOYSA-N
XLogP4.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone?
The IUPAC name of (3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone (CID 58210720) is (3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone.
What is the SMILES notation for (3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone?
The canonical SMILES for (3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone is CC1(C)CCCN(C(=O)c2cccc(COc3cccc(C(F)(F)F)c3)n2)C1.
What is the InChIKey of (3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone?
The InChIKey is WYTNGGCYVXUWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-20(2)10-5-11-26(14-20)19(27)18-9-4-7-16(25-18)13-28-17-8-3-6-15(12-17)21(22,23)24/h3-4,6-9,12H,5,10-11,13-14H2,1-2H3.
What are the key properties of (3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone?
(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone has a molecular weight of 392.42 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone is sourced from PubChem (CID 58210720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).