2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one

C16H24N2O — CID 43083827

IUPAC2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(NC(C)C(=O)N2CCCCC2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-12-7-8-15(13(2)11-12)17-14(3)16(19)18-9-5-4-6-10-18/h7-8,11,14,17H,4-6,9-10H2,1-3H3
InChIKeyGLAQRJJJJNOICA-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.12
Rot. Bonds3

About 2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one

2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one (PubChem CID 43083827) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one
PubChem CID43083827
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(NC(C)C(=O)N2CCCCC2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-12-7-8-15(13(2)11-12)17-14(3)16(19)18-9-5-4-6-10-18/h7-8,11,14,17H,4-6,9-10H2,1-3H3
InChIKeyGLAQRJJJJNOICA-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-4-nitroanilino)-1-piperidin-1-ylpropan-1-one
CID 115571726
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
2-(2,4-dimethylanilino)propanoic acid
CID 13138173
(2S)-2-(4,5-dimethoxy-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 30377089
2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43806052
2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 42912733
2-(2-bromo-4-fluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43119481
methyl (2R)-2-(2,4-dimethylanilino)propanoate
CID 94188227
2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083632
2-(4-fluoro-2-iodoanilino)-1-piperidin-1-ylpropan-1-one
CID 79768419
4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049129
2-(2,4-dimethylphenyl)-2-hydroxy-1-piperidin-1-ylethanone
CID 82130939

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one (CID 43083827) is 2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one is Cc1ccc(NC(C)C(=O)N2CCCCC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is GLAQRJJJJNOICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-7-8-15(13(2)11-12)17-14(3)16(19)18-9-5-4-6-10-18/h7-8,11,14,17H,4-6,9-10H2,1-3H3.
What are the key properties of 2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one?
2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 260.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 43083827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).