2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone

C15H21NO — CID 110755251

IUPAC2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1cccc(CC(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C15H21NO/c1-12-6-8-16(9-7-12)15(17)11-14-5-3-4-13(2)10-14/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyARIXPXQAFYLOCA-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.80
Rot. Bonds2

About 2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone

2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 110755251) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID110755251
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1cccc(CC(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C15H21NO/c1-12-6-8-16(9-7-12)15(17)11-14-5-3-4-13(2)10-14/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyARIXPXQAFYLOCA-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methylphenyl)-1-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]ethanone
CID 113079066
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 79880159
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78768057
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone;hydrochloride
CID 91659501
2-(3-methylphenyl)-1-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 167903948
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 113006248
1-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 113003721
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone (CID 110755251) is 2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone is Cc1cccc(CC(=O)N2CCC(C)CC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is ARIXPXQAFYLOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-6-8-16(9-7-12)15(17)11-14-5-3-4-13(2)10-14/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 231.34 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110755251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).