1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone

C14H19NO2 — CID 117338408

IUPAC1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone
SMILESCOc1ccc(N2CCCCC2)c(C(C)=O)c1
InChIInChI=1S/C14H19NO2/c1-11(16)13-10-12(17-2)6-7-14(13)15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyZETQCJIDOFNYLJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.89
Rot. Bonds3

About 1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone

1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone (PubChem CID 117338408) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone
PubChem CID117338408
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone
SMILESCOc1ccc(N2CCCCC2)c(C(C)=O)c1
InChIInChI=1S/C14H19NO2/c1-11(16)13-10-12(17-2)6-7-14(13)15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyZETQCJIDOFNYLJ-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238
1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
CID 117309750
1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117374092
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
1-[4-methoxy-2-(piperidin-1-ylmethyl)phenyl]ethanone
CID 58236539
5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid
CID 113305090
methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate
CID 117447811
2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
CID 117343468
2,4-dimethoxy-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42755598
2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid
CID 117467602
(E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 7550935
2-hydroxy-5-methoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 112809580

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone?
The IUPAC name of 1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone (CID 117338408) is 1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone.
What is the SMILES notation for 1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone?
The canonical SMILES for 1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone is COc1ccc(N2CCCCC2)c(C(C)=O)c1.
What is the InChIKey of 1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone?
The InChIKey is ZETQCJIDOFNYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(16)13-10-12(17-2)6-7-14(13)15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone?
1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone is sourced from PubChem (CID 117338408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).