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

C12H20F3N3O — CID 114908583

IUPAC(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCN1CCN(C(=O)C2CCC(C(F)(F)F)CN2)CC1
InChIInChI=1S/C12H20F3N3O/c1-17-4-6-18(7-5-17)11(19)10-3-2-9(8-16-10)12(13,14)15/h9-10,16H,2-8H2,1H3
InChIKeyLQCFGFUJOJUEIM-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.69
Rot. Bonds1

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

(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (PubChem CID 114908583) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
PubChem CID114908583
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
SMILESCN1CCN(C(=O)C2CCC(C(F)(F)F)CN2)CC1
InChIInChI=1S/C12H20F3N3O/c1-17-4-6-18(7-5-17)11(19)10-3-2-9(8-16-10)12(13,14)15/h9-10,16H,2-8H2,1H3
InChIKeyLQCFGFUJOJUEIM-UHFFFAOYSA-N
XLogP0.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-hydroxy-4-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908938
(4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908900
N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908963
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114909036
(2,6-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908572
(3-methoxy-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 107392801
(2,3-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908807
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 102932999
2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 176833678
(2,5-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908906
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908901
methyl 5-(trifluoromethyl)piperidine-2-carboxylate;hydrochloride
CID 164886197

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone (CID 114908583) is (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is CN1CCN(C(=O)C2CCC(C(F)(F)F)CN2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
The InChIKey is LQCFGFUJOJUEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-17-4-6-18(7-5-17)11(19)10-3-2-9(8-16-10)12(13,14)15/h9-10,16H,2-8H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone?
(4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone has a molecular weight of 279.31 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone is sourced from PubChem (CID 114908583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).