(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone

C12H14F3N3O — CID 115577232

IUPAC(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCN1CCN(C(=O)c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H14F3N3O/c1-17-4-6-18(7-5-17)11(19)10-3-2-9(8-16-10)12(13,14)15/h2-3,8H,4-7H2,1H3
InChIKeySDDMVDTXZNYHQW-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.49
Rot. Bonds1

About (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone

(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 115577232) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID115577232
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCN1CCN(C(=O)c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H14F3N3O/c1-17-4-6-18(7-5-17)11(19)10-3-2-9(8-16-10)12(13,14)15/h2-3,8H,4-7H2,1H3
InChIKeySDDMVDTXZNYHQW-UHFFFAOYSA-N
XLogP1.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273889
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
[2-(aminomethyl)-4-methylpiperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115737872
(4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115737426
(4-methyl-1,4-diazepan-1-yl)-(5-methyl-2-pyridinyl)methanone
CID 97240980
[2-methyl-4-[4-[5-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]anilino]-oxosulfanium
CID 162618394
1-[3-methyl-4-(sulfinoamino)benzoyl]-4-[5-(trifluoromethyl)pyridine-2-carbonyl]piperazine
CID 129042897
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115737597
1-[3-methyl-4-(sulfinatoamino)benzoyl]-4-[5-(trifluoromethyl)pyridine-2-carbonyl]piperazine
CID 129042896
aziridin-1-yl-(5-methyl-2-pyridinyl)methanone
CID 126996011
4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholine-2-carbonitrile
CID 115616275
[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115736878

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone (CID 115577232) is (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone is CN1CCN(C(=O)c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is SDDMVDTXZNYHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-17-4-6-18(7-5-17)11(19)10-3-2-9(8-16-10)12(13,14)15/h2-3,8H,4-7H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone?
(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 273.26 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 115577232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).