(2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one

C17H23F3N2O2 — CID 58834524

IUPAC(2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one
SMILESCC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(O)CC1
InChIInChI=1S/C17H23F3N2O2/c1-11(2)15(16(24)22-9-7-14(23)8-10-22)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14-15,21,23H,7-10H2,1-2H3/t15-/m1/s1
InChIKeyNMAOZVGBMSBDLZ-OAHLLOKOSA-N
MW344.38 g/mol
LogP3.13
Rot. Bonds4

About (2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one

(2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one (PubChem CID 58834524) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is (2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one
PubChem CID58834524
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name(2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one
SMILESCC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(O)CC1
InChIInChI=1S/C17H23F3N2O2/c1-11(2)15(16(24)22-9-7-14(23)8-10-22)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14-15,21,23H,7-10H2,1-2H3/t15-/m1/s1
InChIKeyNMAOZVGBMSBDLZ-OAHLLOKOSA-N
XLogP3.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one?
The IUPAC name of (2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one (CID 58834524) is (2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one.
What is the SMILES notation for (2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one?
The canonical SMILES for (2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one is CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(O)CC1.
What is the InChIKey of (2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one?
The InChIKey is NMAOZVGBMSBDLZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-11(2)15(16(24)22-9-7-14(23)8-10-22)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14-15,21,23H,7-10H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one?
(2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one has a molecular weight of 344.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-hydroxypiperidin-1-yl)-3-methyl-2-[4-(trifluoromethyl)anilino]butan-1-one is sourced from PubChem (CID 58834524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).