[3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C15H19F3N2O — CID 114498148

IUPAC[3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCNC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1C
InChIInChI=1S/C15H19F3N2O/c1-10-9-20(8-7-13(10)19-2)14(21)11-3-5-12(6-4-11)15(16,17)18/h3-6,10,13,19H,7-9H2,1-2H3
InChIKeyJSVBNIJVYLIECU-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.78
Rot. Bonds2

About [3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 114498148) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is [3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID114498148
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name[3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCNC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1C
InChIInChI=1S/C15H19F3N2O/c1-10-9-20(8-7-13(10)19-2)14(21)11-3-5-12(6-4-11)15(16,17)18/h3-6,10,13,19H,7-9H2,1-2H3
InChIKeyJSVBNIJVYLIECU-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 114498294
1-[4-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63007152
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675
(2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498326
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
[3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride
CID 119491917
(4-tert-butylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413934
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 106671798

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 114498148) is [3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is CNC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1C.
What is the InChIKey of [3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is JSVBNIJVYLIECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10-9-20(8-7-13(10)19-2)14(21)11-3-5-12(6-4-11)15(16,17)18/h3-6,10,13,19H,7-9H2,1-2H3.
What are the key properties of [3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 300.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 114498148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).