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

C17H25NO2 — CID 43794286

IUPAC2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)CN1CC(C)CC(C)C1
InChIInChI=1S/C17H25NO2/c1-4-20-17-8-6-5-7-15(17)16(19)12-18-10-13(2)9-14(3)11-18/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyOTWNKPZVYRBCQB-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.25
Rot. Bonds5

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

2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone (PubChem CID 43794286) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone
PubChem CID43794286
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)CN1CC(C)CC(C)C1
InChIInChI=1S/C17H25NO2/c1-4-20-17-8-6-5-7-15(17)16(19)12-18-10-13(2)9-14(3)11-18/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyOTWNKPZVYRBCQB-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796226
2-[(3,5-dimethylpiperidin-1-yl)methoxy]benzoic acid
CID 20987682
1-(2-ethoxyphenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219428
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 43794292
2-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propoxy]benzoic acid
CID 26582010
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
1-(2-ethoxyphenyl)-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405344
2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone
CID 82102218
1-(2,4-diethoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 82050461
N-acetyl-2-(3,5-dimethylpiperidin-1-yl)-N-phenylacetamide
CID 150565764
1-[2-chloro-2-(2-ethoxyphenyl)ethyl]-3,5-dimethylpiperidine
CID 82215146
3-[2-(2-ethoxyphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 62023536

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone (CID 43794286) is 2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone is CCOc1ccccc1C(=O)CN1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone?
The InChIKey is OTWNKPZVYRBCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-20-17-8-6-5-7-15(17)16(19)12-18-10-13(2)9-14(3)11-18/h5-8,13-14H,4,9-12H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone?
2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone is sourced from PubChem (CID 43794286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).