5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one

C13H17NO2 — CID 583371

IUPAC5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one
SMILESCN1CC(C)(O)C(=O)CC1c1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(16)9-14(2)11(8-12(13)15)10-6-4-3-5-7-10/h3-7,11,16H,8-9H2,1-2H3
InChIKeyMDUJXZYSSKDEAE-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.38
Rot. Bonds1

About 5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one

5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one (PubChem CID 583371) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one.

Molecular Properties

Compound Name5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one
PubChem CID583371
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one
SMILESCN1CC(C)(O)C(=O)CC1c1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(16)9-14(2)11(8-12(13)15)10-6-4-3-5-7-10/h3-7,11,16H,8-9H2,1-2H3
InChIKeyMDUJXZYSSKDEAE-UHFFFAOYSA-N
XLogP1.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one?
The IUPAC name of 5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one (CID 583371) is 5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one.
What is the SMILES notation for 5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one?
The canonical SMILES for 5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one is CN1CC(C)(O)C(=O)CC1c1ccccc1.
What is the InChIKey of 5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one?
The InChIKey is MDUJXZYSSKDEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(16)9-14(2)11(8-12(13)15)10-6-4-3-5-7-10/h3-7,11,16H,8-9H2,1-2H3.
What are the key properties of 5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one?
5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one has a molecular weight of 219.28 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one is sourced from PubChem (CID 583371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).