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

C15H21NO — CID 82289321

IUPAC1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1(c2ccc(C)cc2C)CCNCC1
InChIInChI=1S/C15H21NO/c1-11-4-5-14(12(2)10-11)15(13(3)17)6-8-16-9-7-15/h4-5,10,16H,6-9H2,1-3H3
InChIKeyONDCFQLSLUZMKE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.51
Rot. Bonds2

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

1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone (PubChem CID 82289321) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone
PubChem CID82289321
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1(c2ccc(C)cc2C)CCNCC1
InChIInChI=1S/C15H21NO/c1-11-4-5-14(12(2)10-11)15(13(3)17)6-8-16-9-7-15/h4-5,10,16H,6-9H2,1-3H3
InChIKeyONDCFQLSLUZMKE-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,4-dimethylphenyl)-1-methylpiperidin-4-yl]ethanone
CID 82294883
1-[4-(4-methylphenyl)piperidin-4-yl]ethanone
CID 82285208
4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid
CID 82086541
N-(2,4-dimethylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121544
1-[4-(2-methylphenyl)piperidin-4-yl]propan-1-one
CID 82289312
2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
CID 82082492
4-(2,5-dimethylphenyl)-4-fluoropiperidine
CID 112563134
6-methylspiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
CID 69267820
6-methylspiro[1,2-dihydroisoindole-3,4'-piperidine]
CID 84721497
(4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone
CID 116561849
1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117292393
2,6-dimethylspiro[1H-isoindole-3,4'-piperidine]
CID 84723926

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone (CID 82289321) is 1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone is CC(=O)C1(c2ccc(C)cc2C)CCNCC1.
What is the InChIKey of 1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone?
The InChIKey is ONDCFQLSLUZMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-4-5-14(12(2)10-11)15(13(3)17)6-8-16-9-7-15/h4-5,10,16H,6-9H2,1-3H3.
What are the key properties of 1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone?
1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone has a molecular weight of 231.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 82289321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).