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

C12H14F3N3O — CID 82705641

IUPAC[(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESC[C@@H]1CNCCN1C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H14F3N3O/c1-8-6-16-4-5-18(8)11(19)9-2-3-10(17-7-9)12(13,14)15/h2-3,7-8,16H,4-6H2,1H3/t8-/m1/s1
InChIKeyCEYUIMIRUYMRSP-MRVPVSSYSA-N
MW273.26 g/mol
LogP1.53
Rot. Bonds1

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

[(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 82705641) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is [(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID82705641
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name[(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESC[C@@H]1CNCCN1C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H14F3N3O/c1-8-6-16-4-5-18(8)11(19)9-2-3-10(17-7-9)12(13,14)15/h2-3,7-8,16H,4-6H2,1H3/t8-/m1/s1
InChIKeyCEYUIMIRUYMRSP-MRVPVSSYSA-N
XLogP1.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpiperazin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 119469998
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
CID 63602774
(2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119472401
(2-methylpiperazin-1-yl)-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 119473358
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone
CID 119472573
[6-[ethyl(propyl)amino]-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone
CID 119471683
(2S)-2-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 168510113
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 82705641) is [(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is C[C@@H]1CNCCN1C(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of [(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is CEYUIMIRUYMRSP-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-8-6-16-4-5-18(8)11(19)9-2-3-10(17-7-9)12(13,14)15/h2-3,7-8,16H,4-6H2,1H3/t8-/m1/s1.
What are the key properties of [(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 273.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 82705641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).