1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone

C14H16F3NO — CID 110487580

IUPAC1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone
SMILESCC1CCN(C(=O)Cc2c(F)cc(F)cc2F)CC1
InChIInChI=1S/C14H16F3NO/c1-9-2-4-18(5-3-9)14(19)8-11-12(16)6-10(15)7-13(11)17/h6-7,9H,2-5,8H2,1H3
InChIKeyZIAMATHICMSTFM-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.90
Rot. Bonds2

About 1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone

1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone (PubChem CID 110487580) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone
PubChem CID110487580
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone
SMILESCC1CCN(C(=O)Cc2c(F)cc(F)cc2F)CC1
InChIInChI=1S/C14H16F3NO/c1-9-2-4-18(5-3-9)14(19)8-11-12(16)6-10(15)7-13(11)17/h6-7,9H,2-5,8H2,1H3
InChIKeyZIAMATHICMSTFM-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 118398596
2-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 165432101
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876
4-(cyclopropylmethyl)-1-[2-(2,4,6-trifluorophenyl)acetyl]-1,4-diazepan-5-one
CID 42540206
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110767238
1-[(3R,4R)-3-(hydroxymethyl)-4-[(4-hydroxypiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-(2,4,6-trifluorophenyl)ethanone
CID 72914351
2-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 53147965
2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993727
2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110488890
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-(4-bromopiperidin-1-yl)-2-(2,4-difluorophenyl)ethanone
CID 80662068

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone (CID 110487580) is 1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone is CC1CCN(C(=O)Cc2c(F)cc(F)cc2F)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone?
The InChIKey is ZIAMATHICMSTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-9-2-4-18(5-3-9)14(19)8-11-12(16)6-10(15)7-13(11)17/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone?
1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone has a molecular weight of 271.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone is sourced from PubChem (CID 110487580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).