1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one

C15H21NO2 — CID 54975474

IUPAC1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one
SMILESCOc1ccc(CCN2CCC(=O)CC2C)cc1
InChIInChI=1S/C15H21NO2/c1-12-11-14(17)8-10-16(12)9-7-13-3-5-15(18-2)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeySRXFQVSWZZXZEO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.29
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one

1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one (PubChem CID 54975474) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one
PubChem CID54975474
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one
SMILESCOc1ccc(CCN2CCC(=O)CC2C)cc1
InChIInChI=1S/C15H21NO2/c1-12-11-14(17)8-10-16(12)9-7-13-3-5-15(18-2)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeySRXFQVSWZZXZEO-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one (CID 54975474) is 1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one is COc1ccc(CCN2CCC(=O)CC2C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one?
The InChIKey is SRXFQVSWZZXZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-11-14(17)8-10-16(12)9-7-13-3-5-15(18-2)6-4-13/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one?
1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one has a molecular weight of 247.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one is sourced from PubChem (CID 54975474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).