3-hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one

C14H19NO2 — CID 121493751

IUPAC3-hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one
SMILESCc1cccc(CCC2CNC(=O)C(O)C2)c1
InChIInChI=1S/C14H19NO2/c1-10-3-2-4-11(7-10)5-6-12-8-13(16)14(17)15-9-12/h2-4,7,12-13,16H,5-6,8-9H2,1H3,(H,15,17)
InChIKeyHIRCLEUKADWTHQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.42
Rot. Bonds3

About 3-hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one

3-hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one (PubChem CID 121493751) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one
PubChem CID121493751
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one
SMILESCc1cccc(CCC2CNC(=O)C(O)C2)c1
InChIInChI=1S/C14H19NO2/c1-10-3-2-4-11(7-10)5-6-12-8-13(16)14(17)15-9-12/h2-4,7,12-13,16H,5-6,8-9H2,1H3,(H,15,17)
InChIKeyHIRCLEUKADWTHQ-UHFFFAOYSA-N
XLogP1.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one?
The IUPAC name of 3-hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one (CID 121493751) is 3-hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one.
What is the SMILES notation for 3-hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one?
The canonical SMILES for 3-hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one is Cc1cccc(CCC2CNC(=O)C(O)C2)c1.
What is the InChIKey of 3-hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one?
The InChIKey is HIRCLEUKADWTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-3-2-4-11(7-10)5-6-12-8-13(16)14(17)15-9-12/h2-4,7,12-13,16H,5-6,8-9H2,1H3,(H,15,17).
What are the key properties of 3-hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one?
3-hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-[2-(3-methylphenyl)ethyl]piperidin-2-one is sourced from PubChem (CID 121493751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).