2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone

C16H23NO — CID 43797125

IUPAC2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone
SMILESCCC1CCCN(CC(=O)c2ccccc2C)C1
InChIInChI=1S/C16H23NO/c1-3-14-8-6-10-17(11-14)12-16(18)15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3
InChIKeyUGGOUWSMOVELAD-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.30
Rot. Bonds4

About 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone

2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone (PubChem CID 43797125) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone
PubChem CID43797125
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone
SMILESCCC1CCCN(CC(=O)c2ccccc2C)C1
InChIInChI=1S/C16H23NO/c1-3-14-8-6-10-17(11-14)12-16(18)15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3
InChIKeyUGGOUWSMOVELAD-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]piperidine-3-carboxamide
CID 103196880
2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone
CID 63622437
2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone
CID 63610775
1-(2-methylphenyl)-2-(4-methylsulfanylazepan-1-yl)ethanone
CID 114237550
1-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107227995
1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43794322
1-(2-methylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62030884
2-cyclobutyl-1-(2-methylphenyl)ethanone
CID 65460155
2-[3-(methoxymethyl)piperidin-1-yl]-1-(2,4,5-trimethylphenyl)ethanone
CID 106587762
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62037679
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone (CID 43797125) is 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone is CCC1CCCN(CC(=O)c2ccccc2C)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone?
The InChIKey is UGGOUWSMOVELAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-14-8-6-10-17(11-14)12-16(18)15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3.
What are the key properties of 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone?
2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 43797125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).