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

C13H16F3N3O — CID 119469998

IUPAC(2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCNCC1C
InChIInChI=1S/C13H16F3N3O/c1-8-7-17-5-6-19(8)12(20)10-3-4-11(13(14,15)16)18-9(10)2/h3-4,8,17H,5-7H2,1-2H3
InChIKeyOXZRLBPONCPGOS-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.84
Rot. Bonds1

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

(2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 119469998) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID119469998
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name(2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCNCC1C
InChIInChI=1S/C13H16F3N3O/c1-8-7-17-5-6-19(8)12(20)10-3-4-11(13(14,15)16)18-9(10)2/h3-4,8,17H,5-7H2,1-2H3
InChIKeyOXZRLBPONCPGOS-UHFFFAOYSA-N
XLogP1.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 82705641
(2-methylpiperazin-1-yl)-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 119473358
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 95294843
(2-fluoro-4-methylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472703
1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 119137791
(2-hydroxy-4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756335
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866771
(2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119471534
(3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134005087
(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 63047401
(3S)-4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125133041
2-methyl-N-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120557628

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (CID 119469998) is (2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is Cc1nc(C(F)(F)F)ccc1C(=O)N1CCNCC1C.
What is the InChIKey of (2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is OXZRLBPONCPGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-8-7-17-5-6-19(8)12(20)10-3-4-11(13(14,15)16)18-9(10)2/h3-4,8,17H,5-7H2,1-2H3.
What are the key properties of (2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
(2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 287.29 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 119469998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).