(2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one;hydrochloride

C13H17ClFNO2 — CID 3050453

IUPAC(2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one;hydrochloride
SMILESCN1C[C@@](C)(O)C(=O)C[C@H]1c1ccccc1F.Cl
InChIInChI=1S/C13H16FNO2.ClH/c1-13(17)8-15(2)11(7-12(13)16)9-5-3-4-6-10(9)14;/h3-6,11,17H,7-8H2,1-2H3;1H/t11-,13+;/m0./s1
InChIKeySREBBZYATJSHLM-STEACBGWSA-N
MW273.73 g/mol
LogP1.94
Rot. Bonds1

About (2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one;hydrochloride

(2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one;hydrochloride (PubChem CID 3050453) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is (2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one;hydrochloride
PubChem CID3050453
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name(2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one;hydrochloride
SMILESCN1C[C@@](C)(O)C(=O)C[C@H]1c1ccccc1F.Cl
InChIInChI=1S/C13H16FNO2.ClH/c1-13(17)8-15(2)11(7-12(13)16)9-5-3-4-6-10(9)14;/h3-6,11,17H,7-8H2,1-2H3;1H/t11-,13+;/m0./s1
InChIKeySREBBZYATJSHLM-STEACBGWSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one;hydrochloride?
The IUPAC name of (2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one;hydrochloride (CID 3050453) is (2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one;hydrochloride.
What is the SMILES notation for (2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one;hydrochloride?
The canonical SMILES for (2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one;hydrochloride is CN1C[C@@](C)(O)C(=O)C[C@H]1c1ccccc1F.Cl.
What is the InChIKey of (2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one;hydrochloride?
The InChIKey is SREBBZYATJSHLM-STEACBGWSA-N. The full InChI is InChI=1S/C13H16FNO2.ClH/c1-13(17)8-15(2)11(7-12(13)16)9-5-3-4-6-10(9)14;/h3-6,11,17H,7-8H2,1-2H3;1H/t11-,13+;/m0./s1.
What are the key properties of (2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one;hydrochloride?
(2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one;hydrochloride has a molecular weight of 273.73 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one;hydrochloride is sourced from PubChem (CID 3050453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).