1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone

C16H23NO — CID 43219443

IUPAC1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCCC(C)C2)c(C)c1
InChIInChI=1S/C16H23NO/c1-12-6-7-15(14(3)9-12)16(18)11-17-8-4-5-13(2)10-17/h6-7,9,13H,4-5,8,10-11H2,1-3H3
InChIKeyBHFKGOQDEVJVHZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.22
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone

1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone (PubChem CID 43219443) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
PubChem CID43219443
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCc1ccc(C(=O)CN2CCCC(C)C2)c(C)c1
InChIInChI=1S/C16H23NO/c1-12-6-7-15(14(3)9-12)16(18)11-17-8-4-5-13(2)10-17/h6-7,9,13H,4-5,8,10-11H2,1-3H3
InChIKeyBHFKGOQDEVJVHZ-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 60650789
1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5043058
2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
1-(2,5-dimethylphenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63622261
1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-methylpiperidin-4-one
CID 114501233
1-(2,4-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 121200226
1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82050236
2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 90643116
2,4-dimethyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55714039
1-(3,4-dihydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219441
1-(2-bromophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219429
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone (CID 43219443) is 1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone is Cc1ccc(C(=O)CN2CCCC(C)C2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is BHFKGOQDEVJVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-6-7-15(14(3)9-12)16(18)11-17-8-4-5-13(2)10-17/h6-7,9,13H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone?
1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43219443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).