1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one

C14H19NO2 — CID 83824146

IUPAC1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one
SMILESCOc1ccccc1CCN1CCCC(=O)C1
InChIInChI=1S/C14H19NO2/c1-17-14-7-3-2-5-12(14)8-10-15-9-4-6-13(16)11-15/h2-3,5,7H,4,6,8-11H2,1H3
InChIKeyRTGJIMFUNCTRGZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.90
Rot. Bonds4

About 1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one

1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one (PubChem CID 83824146) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one
PubChem CID83824146
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one
SMILESCOc1ccccc1CCN1CCCC(=O)C1
InChIInChI=1S/C14H19NO2/c1-17-14-7-3-2-5-12(14)8-10-15-9-4-6-13(16)11-15/h2-3,5,7H,4,6,8-11H2,1H3
InChIKeyRTGJIMFUNCTRGZ-UHFFFAOYSA-N
XLogP1.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]pyrrolidin-3-one
CID 106260471
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one
CID 23053179
4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione
CID 82118888
1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-one
CID 117012812
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-amine
CID 82159159
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane
CID 106261953
1-cyclopentylsulfonyl-4-[2-(2-methoxyphenyl)ethyl]piperazine
CID 110411428
2-[2-methoxy-6-(2-pyrrolidin-1-ylethyl)phenyl]isoindole-1,3-dione
CID 168519606
1-(4-phenylbutyl)piperidin-3-one
CID 114333663

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one (CID 83824146) is 1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one is COc1ccccc1CCN1CCCC(=O)C1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one?
The InChIKey is RTGJIMFUNCTRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14-7-3-2-5-12(14)8-10-15-9-4-6-13(16)11-15/h2-3,5,7H,4,6,8-11H2,1H3.
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one?
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one has a molecular weight of 233.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one is sourced from PubChem (CID 83824146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).