[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C17H23F3N2O2 — CID 72896874

IUPAC[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O2/c1-21(2)8-12-7-13(11-23)10-22(9-12)16(24)14-5-3-4-6-15(14)17(18,19)20/h3-6,12-13,23H,7-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyTVPIAEMBHQAFGL-OLZOCXBDSA-N
MW344.38 g/mol
LogP2.34
Rot. Bonds4

About [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 72896874) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID72896874
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H23F3N2O2/c1-21(2)8-12-7-13(11-23)10-22(9-12)16(24)14-5-3-4-6-15(14)17(18,19)20/h3-6,12-13,23H,7-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyTVPIAEMBHQAFGL-OLZOCXBDSA-N
XLogP2.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]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

[(3R)-3-aminopyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119410283
(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86276608
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
1-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 72861258
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[2-(trifluoromethyl)phenyl]methanone
CID 66212172
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 72871834
[(3S,4S)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 133116434
2-[(2-chlorophenyl)methylsulfanyl]-1-[3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]ethanone
CID 156606670
[4-(1-chloroethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 106838854
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296
[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 72895677

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 72896874) is [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is CN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is TVPIAEMBHQAFGL-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-21(2)8-12-7-13(11-23)10-22(9-12)16(24)14-5-3-4-6-15(14)17(18,19)20/h3-6,12-13,23H,7-11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 344.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 72896874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).