(5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone

C22H25F3N2O2 — CID 58211723

IUPAC(5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone
SMILESCCC1CCC(C)N(C(=O)c2cccc(COc3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C22H25F3N2O2/c1-3-16-11-10-15(2)27(13-16)21(28)20-9-5-7-18(26-20)14-29-19-8-4-6-17(12-19)22(23,24)25/h4-9,12,15-16H,3,10-11,13-14H2,1-2H3
InChIKeyHCHUGVPQQFLWFE-UHFFFAOYSA-N
MW406.45 g/mol
LogP5.33
Rot. Bonds5

About (5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone

(5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone (PubChem CID 58211723) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is (5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone
PubChem CID58211723
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name(5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone
SMILESCCC1CCC(C)N(C(=O)c2cccc(COc3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C22H25F3N2O2/c1-3-16-11-10-15(2)27(13-16)21(28)20-9-5-7-18(26-20)14-29-19-8-4-6-17(12-19)22(23,24)25/h4-9,12,15-16H,3,10-11,13-14H2,1-2H3
InChIKeyHCHUGVPQQFLWFE-UHFFFAOYSA-N
XLogP5.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone?
The IUPAC name of (5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone (CID 58211723) is (5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone.
What is the SMILES notation for (5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone?
The canonical SMILES for (5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone is CCC1CCC(C)N(C(=O)c2cccc(COc3cccc(C(F)(F)F)c3)n2)C1.
What is the InChIKey of (5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone?
The InChIKey is HCHUGVPQQFLWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c1-3-16-11-10-15(2)27(13-16)21(28)20-9-5-7-18(26-20)14-29-19-8-4-6-17(12-19)22(23,24)25/h4-9,12,15-16H,3,10-11,13-14H2,1-2H3.
What are the key properties of (5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone?
(5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone has a molecular weight of 406.45 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone is sourced from PubChem (CID 58211723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).