2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone

C15H21NO — CID 116547886

IUPAC2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone
SMILESCc1ccc(C)c(CC(=O)C2CCCCN2)c1
InChIInChI=1S/C15H21NO/c1-11-6-7-12(2)13(9-11)10-15(17)14-5-3-4-8-16-14/h6-7,9,14,16H,3-5,8,10H2,1-2H3
InChIKeyWBGBEGYEIKJIPG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.56
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone

2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone (PubChem CID 116547886) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone
PubChem CID116547886
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone
SMILESCc1ccc(C)c(CC(=O)C2CCCCN2)c1
InChIInChI=1S/C15H21NO/c1-11-6-7-12(2)13(9-11)10-15(17)14-5-3-4-8-16-14/h6-7,9,14,16H,3-5,8,10H2,1-2H3
InChIKeyWBGBEGYEIKJIPG-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116582657
1-cyclohexyl-2-(2,5-dimethylphenyl)ethanone
CID 61482005
azepan-2-yl-(2,4-dimethylphenyl)methanone
CID 116582486
2-(2,5-dimethylphenyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 79041660
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
CID 116547766
2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
CID 104955056
1-(azepan-2-yl)-2-(2,4-dichlorophenyl)ethanone
CID 116582482
2-(2,5-dimethylphenyl)-1-(2-methyloxolan-3-yl)ethanone
CID 79759578
(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
CID 104914544
azepan-2-yl-(3,4-dimethylphenyl)methanone
CID 116582591
2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547913

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone (CID 116547886) is 2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone is Cc1ccc(C)c(CC(=O)C2CCCCN2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone?
The InChIKey is WBGBEGYEIKJIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-6-7-12(2)13(9-11)10-15(17)14-5-3-4-8-16-14/h6-7,9,14,16H,3-5,8,10H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone?
2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone has a molecular weight of 231.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-piperidin-2-ylethanone is sourced from PubChem (CID 116547886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).