2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone

C19H19F3N2O — CID 58315615

IUPAC2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc([C@H]2CCCNC2)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)18-8-7-16(12-24-18)17(25)10-13-3-5-14(6-4-13)15-2-1-9-23-11-15/h3-8,12,15,23H,1-2,9-11H2/t15-/m0/s1
InChIKeyMRYIHDRNFXRQCE-HNNXBMFYSA-N
MW348.37 g/mol
LogP3.99
Rot. Bonds4

About 2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone

2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 58315615) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID58315615
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESO=C(Cc1ccc([C@H]2CCCNC2)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)18-8-7-16(12-24-18)17(25)10-13-3-5-14(6-4-13)15-2-1-9-23-11-15/h3-8,12,15,23H,1-2,9-11H2/t15-/m0/s1
InChIKeyMRYIHDRNFXRQCE-HNNXBMFYSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 158279010
1-(5-chloro-2-pyridinyl)-2-[4-[(3R)-piperidin-3-yl]phenyl]ethanone
CID 58315649
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315627
N-[(4-morpholin-2-ylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67240344
2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole
CID 166104096
[3-(4-fluorophenyl)azepan-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 121146311
1-(4-piperidin-3-ylphenyl)ethanone
CID 83404173
2-tert-butyl-5-piperidin-3-ylpyridine
CID 134595467
ethyl 4-[(3S)-piperidin-3-yl]benzoate
CID 176561746
4-(2-piperidin-3-ylethylsulfonylamino)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 69185428
3-(4-piperidin-3-ylphenyl)propanoic acid
CID 116988287

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone (CID 58315615) is 2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone is O=C(Cc1ccc([C@H]2CCCNC2)cc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is MRYIHDRNFXRQCE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c20-19(21,22)18-8-7-16(12-24-18)17(25)10-13-3-5-14(6-4-13)15-2-1-9-23-11-15/h3-8,12,15,23H,1-2,9-11H2/t15-/m0/s1.
What are the key properties of 2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 348.37 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 58315615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).