(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide

C13H23F3N2O2 — CID 118888240

IUPAC(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide
SMILESC[C@H](CCN1CCCCC1C(F)(F)F)[C@@H](O)CC(N)=O
InChIInChI=1S/C13H23F3N2O2/c1-9(10(19)8-12(17)20)5-7-18-6-3-2-4-11(18)13(14,15)16/h9-11,19H,2-8H2,1H3,(H2,17,20)/t9-,10+,11?/m1/s1
InChIKeyFOFVNGBDBNXLMP-JKIOLJMWSA-N
MW296.33 g/mol
LogP1.67
Rot. Bonds6

About (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide

(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide (PubChem CID 118888240) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide
PubChem CID118888240
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide
SMILESC[C@H](CCN1CCCCC1C(F)(F)F)[C@@H](O)CC(N)=O
InChIInChI=1S/C13H23F3N2O2/c1-9(10(19)8-12(17)20)5-7-18-6-3-2-4-11(18)13(14,15)16/h9-11,19H,2-8H2,1H3,(H2,17,20)/t9-,10+,11?/m1/s1
InChIKeyFOFVNGBDBNXLMP-JKIOLJMWSA-N
XLogP1.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide?
The IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide (CID 118888240) is (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide is C[C@H](CCN1CCCCC1C(F)(F)F)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide?
The InChIKey is FOFVNGBDBNXLMP-JKIOLJMWSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-9(10(19)8-12(17)20)5-7-18-6-3-2-4-11(18)13(14,15)16/h9-11,19H,2-8H2,1H3,(H2,17,20)/t9-,10+,11?/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide?
(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide has a molecular weight of 296.33 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide is sourced from PubChem (CID 118888240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).