2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one

C13H16ClNO2 — CID 597249

IUPAC2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one
SMILESCN1CC(C)(O)C(=O)CC1c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c1-13(17)8-15(2)11(7-12(13)16)9-3-5-10(14)6-4-9/h3-6,11,17H,7-8H2,1-2H3
InChIKeyYMBUJBMVBLPSPL-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.04
Rot. Bonds1

About 2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one

2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one (PubChem CID 597249) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one
PubChem CID597249
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one
SMILESCN1CC(C)(O)C(=O)CC1c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c1-13(17)8-15(2)11(7-12(13)16)9-3-5-10(14)6-4-9/h3-6,11,17H,7-8H2,1-2H3
InChIKeyYMBUJBMVBLPSPL-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one (CID 597249) is 2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one is CN1CC(C)(O)C(=O)CC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one?
The InChIKey is YMBUJBMVBLPSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-13(17)8-15(2)11(7-12(13)16)9-3-5-10(14)6-4-9/h3-6,11,17H,7-8H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one?
2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one has a molecular weight of 253.73 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one is sourced from PubChem (CID 597249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).