1-(4-methoxy-4-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone

C15H19F3N2O2 — CID 154783927

IUPAC1-(4-methoxy-4-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCOC1(C)CCN(C(=O)Cc2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C15H19F3N2O2/c1-14(22-2)4-7-20(8-5-14)13(21)10-12-9-11(3-6-19-12)15(16,17)18/h3,6,9H,4-5,7-8,10H2,1-2H3
InChIKeyMYVPKIBBTBOLNJ-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.67
Rot. Bonds3

About 1-(4-methoxy-4-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone

1-(4-methoxy-4-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 154783927) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-(4-methoxy-4-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(4-methoxy-4-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID154783927
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name1-(4-methoxy-4-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCOC1(C)CCN(C(=O)Cc2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C15H19F3N2O2/c1-14(22-2)4-7-20(8-5-14)13(21)10-12-9-11(3-6-19-12)15(16,17)18/h3,6,9H,4-5,7-8,10H2,1-2H3
InChIKeyMYVPKIBBTBOLNJ-UHFFFAOYSA-N
XLogP2.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 107339302
1-[4-fluoro-4-[2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]butan-1-one
CID 159081913
1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155824350
2-chloro-1-[4-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 174485792
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
CID 70641350
1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 160763782
2-(3,4-dimethoxyphenyl)-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 122251377
1-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-[3-[2-[4-(2-ethylbutyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)phenyl]ethanone
CID 159805897
2-[3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyacetic acid
CID 102658024
tert-butyl 3-(methoxymethyl)-3-[3-[4-(trifluoromethyl)-2-pyridinyl]azetidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 59633859
[(1R,3S)-3-[3-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 154616670

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-4-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-(4-methoxy-4-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone (CID 154783927) is 1-(4-methoxy-4-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(4-methoxy-4-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-(4-methoxy-4-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone is COC1(C)CCN(C(=O)Cc2cc(C(F)(F)F)ccn2)CC1.
What is the InChIKey of 1-(4-methoxy-4-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is MYVPKIBBTBOLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-14(22-2)4-7-20(8-5-14)13(21)10-12-9-11(3-6-19-12)15(16,17)18/h3,6,9H,4-5,7-8,10H2,1-2H3.
What are the key properties of 1-(4-methoxy-4-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?
1-(4-methoxy-4-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 316.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-4-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 154783927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).