[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

C15H19F3N2O — CID 94014765

IUPAC[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1
InChIInChI=1S/C15H19F3N2O/c1-19(2)13-7-3-5-11(9-13)14(21)20-8-4-6-12(10-20)15(16,17)18/h3,5,7,9,12H,4,6,8,10H2,1-2H3/t12-/m1/s1
InChIKeyYADLHWKTMWRXEM-GFCCVEGCSA-N
MW300.32 g/mol
LogP3.17
Rot. Bonds2

About [3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 94014765) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID94014765
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1
InChIInChI=1S/C15H19F3N2O/c1-19(2)13-7-3-5-11(9-13)14(21)20-8-4-6-12(10-20)15(16,17)18/h3,5,7,9,12H,4,6,8,10H2,1-2H3/t12-/m1/s1
InChIKeyYADLHWKTMWRXEM-GFCCVEGCSA-N
XLogP3.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041690
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63767839
[3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 95293500
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
[3-(2-bromophenyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 170459985
[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 26398252
[3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 124966949
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 94014765) is [3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is CN(C)c1cccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is YADLHWKTMWRXEM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-19(2)13-7-3-5-11(9-13)14(21)20-8-4-6-12(10-20)15(16,17)18/h3,5,7,9,12H,4,6,8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of [3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 300.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 94014765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).