(5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one

C13H14F3NO — CID 138970792

IUPAC(5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one
SMILESC[C@]1(C(F)(F)F)CCC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C13H14F3NO/c1-12(13(14,15)16)8-7-10(18)17-11(12)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyQHWXHFRUVFKOBE-NEPJUHHUSA-N
MW257.25 g/mol
LogP3.21
Rot. Bonds1

About (5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one

(5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one (PubChem CID 138970792) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is (5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one
PubChem CID138970792
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name(5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one
SMILESC[C@]1(C(F)(F)F)CCC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C13H14F3NO/c1-12(13(14,15)16)8-7-10(18)17-11(12)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyQHWXHFRUVFKOBE-NEPJUHHUSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Melinamide
CID 20054967
5-Nitro-6-[4-(trifluoromethyl)phenyl]piperidin-2-one
CID 2905938
6-Phenylpiperidin-2-one
CID 600225
N-(4-fluorobenzyl)-2-phenylacetamide
CID 881070
2-phenyl-N-(1-phenylethyl)acetamide
CID 2826774
2-cyclohexyl-N-(1-phenylethyl)acetamide
CID 2912233
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-(4,4-difluorocyclohexyl)-6-phenylhexanamide
CID 154665756
2,2,2-trifluoro-N-(1-phenylethyl)acetamide
CID 529470
3-Phenyl-N-(1-phenylethyl)propanimidic acid
CID 64880
3-Phenylpiperazin-2-one
CID 250681
3-Amino-1-((3-(trifluoromethyl)phenyl)methyl)piperidin-2-one
CID 64236451

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one?
The IUPAC name of (5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one (CID 138970792) is (5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one.
What is the SMILES notation for (5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one?
The canonical SMILES for (5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one is C[C@]1(C(F)(F)F)CCC(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one?
The InChIKey is QHWXHFRUVFKOBE-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-12(13(14,15)16)8-7-10(18)17-11(12)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,17,18)/t11-,12+/m1/s1.
What are the key properties of (5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one?
(5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one has a molecular weight of 257.25 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-methyl-6-phenyl-5-(trifluoromethyl)piperidin-2-one is sourced from PubChem (CID 138970792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).