(4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone

C14H18F3N3O — CID 134004996

IUPAC(4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(C(F)(F)F)nc2C)CC1
InChIInChI=1S/C14H18F3N3O/c1-3-19-6-8-20(9-7-19)13(21)11-4-5-12(14(15,16)17)18-10(11)2/h4-5H,3,6-9H2,1-2H3
InChIKeyPRYWAKAIKYLGBQ-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.19
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone

(4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 134004996) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID134004996
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name(4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(C(F)(F)F)nc2C)CC1
InChIInChI=1S/C14H18F3N3O/c1-3-19-6-8-20(9-7-19)13(21)11-4-5-12(14(15,16)17)18-10(11)2/h4-5H,3,6-9H2,1-2H3
InChIKeyPRYWAKAIKYLGBQ-UHFFFAOYSA-N
XLogP2.19
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 38472896
4-hydroxy-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119251954
N-(3-methoxypropyl)-2-[4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 55581838
(3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134005087
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 39586467
6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid
CID 43453206
[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 46093080
(3S,4S)-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951143
1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 31910212
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 2782900
(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
CID 70215264
(4-ethylpiperazin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79884120

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (CID 134004996) is (4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is CCN1CCN(C(=O)c2ccc(C(F)(F)F)nc2C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is PRYWAKAIKYLGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-3-19-6-8-20(9-7-19)13(21)11-4-5-12(14(15,16)17)18-10(11)2/h4-5H,3,6-9H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 301.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 134004996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).