1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one

C15H21NO2 — CID 79406250

IUPAC1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one
SMILESCOCc1ccccc1N1CCC(=O)C(C)C1C
InChIInChI=1S/C15H21NO2/c1-11-12(2)16(9-8-15(11)17)14-7-5-4-6-13(14)10-18-3/h4-7,11-12H,8-10H2,1-3H3
InChIKeyDYLMVNUXIYDSJK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds3

About 1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one

1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one (PubChem CID 79406250) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one
PubChem CID79406250
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one
SMILESCOCc1ccccc1N1CCC(=O)C(C)C1C
InChIInChI=1S/C15H21NO2/c1-11-12(2)16(9-8-15(11)17)14-7-5-4-6-13(14)10-18-3/h4-7,11-12H,8-10H2,1-3H3
InChIKeyDYLMVNUXIYDSJK-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one (CID 79406250) is 1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one is COCc1ccccc1N1CCC(=O)C(C)C1C.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one?
The InChIKey is DYLMVNUXIYDSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-12(2)16(9-8-15(11)17)14-7-5-4-6-13(14)10-18-3/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of 1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one?
1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one has a molecular weight of 247.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-2,3-dimethylpiperidin-4-one is sourced from PubChem (CID 79406250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).