1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone

C16H23NO2 — CID 3661200

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C16H23NO2/c1-12-8-13(2)11-17(10-12)16(18)9-14-6-4-5-7-15(14)19-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyFVIJKVOKGCZIDT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.74
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone (PubChem CID 3661200) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
PubChem CID3661200
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C16H23NO2/c1-12-8-13(2)11-17(10-12)16(18)9-14-6-4-5-7-15(14)19-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyFVIJKVOKGCZIDT-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone (CID 3661200) is 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone?
The InChIKey is FVIJKVOKGCZIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-8-13(2)11-17(10-12)16(18)9-14-6-4-5-7-15(14)19-3/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 3661200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).