1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

C13H25NO2 — CID 112605480

IUPAC1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC1CCC(C)N(C(=O)COC(C)(C)C)C1
InChIInChI=1S/C13H25NO2/c1-10-6-7-11(2)14(8-10)12(15)9-16-13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyIJCHFRIAVVXLBJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds2

About 1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 112605480) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID112605480
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC1CCC(C)N(C(=O)COC(C)(C)C)C1
InChIInChI=1S/C13H25NO2/c1-10-6-7-11(2)14(8-10)12(15)9-16-13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyIJCHFRIAVVXLBJ-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 167346885
1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115968533
2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 112604725
1-(2,5-dimethylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603434
1-[(2S,5R)-2,5-dimethylpiperidin-1-yl]-3-methylbutan-1-one
CID 118357209
1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 114221624
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid
CID 112602165
1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane
CID 156753838
ethyl 2-(2,5-dimethylpiperidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116538153
1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605170
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 103940379
2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 77077441

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 112605480) is 1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is CC1CCC(C)N(C(=O)COC(C)(C)C)C1.
What is the InChIKey of 1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is IJCHFRIAVVXLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-6-7-11(2)14(8-10)12(15)9-16-13(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 227.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 112605480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).