3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one

C16H23NO — CID 82294914

IUPAC3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one
SMILESCc1ccc(CCC(=O)C2CCCNC2)c(C)c1
InChIInChI=1S/C16H23NO/c1-12-5-6-14(13(2)10-12)7-8-16(18)15-4-3-9-17-11-15/h5-6,10,15,17H,3-4,7-9,11H2,1-2H3
InChIKeyIFMVJZVGYQZTHD-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.80
Rot. Bonds4

About 3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one

3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one (PubChem CID 82294914) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one
PubChem CID82294914
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one
SMILESCc1ccc(CCC(=O)C2CCCNC2)c(C)c1
InChIInChI=1S/C16H23NO/c1-12-5-6-14(13(2)10-12)7-8-16(18)15-4-3-9-17-11-15/h5-6,10,15,17H,3-4,7-9,11H2,1-2H3
InChIKeyIFMVJZVGYQZTHD-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one 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-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one
CID 24726322
3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one
CID 82289357
3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 91645265
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119321028
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63642105
(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81134243
3-(2,4-dimethylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534079
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211401
N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride
CID 119887720
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
2-(4-ethylphenyl)-1-piperidin-3-ylethanone
CID 82082195
1-cyclohexyl-3-(2-methylphenyl)propan-1-one
CID 24725660

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one?
The IUPAC name of 3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one (CID 82294914) is 3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one is Cc1ccc(CCC(=O)C2CCCNC2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one?
The InChIKey is IFMVJZVGYQZTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-5-6-14(13(2)10-12)7-8-16(18)15-4-3-9-17-11-15/h5-6,10,15,17H,3-4,7-9,11H2,1-2H3.
What are the key properties of 3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one?
3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one has a molecular weight of 245.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-1-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 82294914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).