1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone

C16H23NO — CID 82294883

IUPAC1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(c2ccc(C)cc2C)CCN(C)CC1
InChIInChI=1S/C16H23NO/c1-12-5-6-15(13(2)11-12)16(14(3)18)7-9-17(4)10-8-16/h5-6,11H,7-10H2,1-4H3
InChIKeyMKHATBVRKQTNJH-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.86
Rot. Bonds2

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

1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone (PubChem CID 82294883) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone
PubChem CID82294883
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(c2ccc(C)cc2C)CCN(C)CC1
InChIInChI=1S/C16H23NO/c1-12-5-6-15(13(2)11-12)16(14(3)18)7-9-17(4)10-8-16/h5-6,11H,7-10H2,1-4H3
InChIKeyMKHATBVRKQTNJH-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone?
The IUPAC name of 1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone (CID 82294883) is 1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone.
What is the SMILES notation for 1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone?
The canonical SMILES for 1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone is CC(=O)C1(c2ccc(C)cc2C)CCN(C)CC1.
What is the InChIKey of 1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone?
The InChIKey is MKHATBVRKQTNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-5-6-15(13(2)11-12)16(14(3)18)7-9-17(4)10-8-16/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone?
1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone has a molecular weight of 245.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone is sourced from PubChem (CID 82294883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).