(5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one

C14H16F3NO2 — CID 134944373

IUPAC(5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)CC[C@@H](O)[C@@H]1C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c1-9(10-5-3-2-4-6-10)18-12(20)8-7-11(19)13(18)14(15,16)17/h2-6,9,11,13,19H,7-8H2,1H3/t9-,11+,13+/m0/s1
InChIKeySSMCLCJTNAFENK-UFGOTCBOSA-N
MW287.28 g/mol
LogP2.66
Rot. Bonds2

About (5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one

(5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one (PubChem CID 134944373) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is (5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one
PubChem CID134944373
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name(5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)CC[C@@H](O)[C@@H]1C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c1-9(10-5-3-2-4-6-10)18-12(20)8-7-11(19)13(18)14(15,16)17/h2-6,9,11,13,19H,7-8H2,1H3/t9-,11+,13+/m0/s1
InChIKeySSMCLCJTNAFENK-UFGOTCBOSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-Difluorobenzyl)-3-hydroxy-3-{[(2-hydroxyethyl)(methyl)amino]methyl}piperidin-2-one
CID 56711070
1-(2-Fluorobenzyl)-3-hydroxy-3-{[(2-hydroxyethyl)(methyl)amino]methyl}piperidin-2-one
CID 56715410
(4S)-3,3-difluoro-1-[(2S)-1-hydroxybutan-2-yl]-4-phenylazetidin-2-one
CID 134920613
1-[(4-Fluorophenyl)methyl]-5-hydroxypiperidin-2-one
CID 135070206
(6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-methylpiperidin-2-one
CID 10889819
(6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one
CID 15923313
(6R)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
CID 15923314
(5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
CID 102254920
(6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one
CID 134858178
1-(2,3-Difluorobenzyl)-3-hydroxy-3-{[isopropyl(methyl)amino]methyl}-2-piperidinone
CID 45184164
N-[(4-fluorophenyl)methyl]-N-[(2S)-1-hydroxybutan-2-yl]-4-oxopentanamide
CID 52394369
1-(2,4-Difluorobenzoyl)piperidin-3-ol
CID 43390648

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one?
The IUPAC name of (5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one (CID 134944373) is (5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one.
What is the SMILES notation for (5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one?
The canonical SMILES for (5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one is C[C@@H](c1ccccc1)N1C(=O)CC[C@@H](O)[C@@H]1C(F)(F)F.
What is the InChIKey of (5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one?
The InChIKey is SSMCLCJTNAFENK-UFGOTCBOSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-9(10-5-3-2-4-6-10)18-12(20)8-7-11(19)13(18)14(15,16)17/h2-6,9,11,13,19H,7-8H2,1H3/t9-,11+,13+/m0/s1.
What are the key properties of (5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one?
(5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one has a molecular weight of 287.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-hydroxy-1-[(1S)-1-phenylethyl]-6-(trifluoromethyl)piperidin-2-one is sourced from PubChem (CID 134944373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).