2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone

C16H24N2O — CID 132649528

IUPAC2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCc1ccc(CC(=O)N2CC(C)CC(C)C2)c(N)c1
InChIInChI=1S/C16H24N2O/c1-11-4-5-14(15(17)7-11)8-16(19)18-9-12(2)6-13(3)10-18/h4-5,7,12-13H,6,8-10,17H2,1-3H3
InChIKeyRBLXKBWYRDDINO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.62
Rot. Bonds2

About 2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone

2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 132649528) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID132649528
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCc1ccc(CC(=O)N2CC(C)CC(C)C2)c(N)c1
InChIInChI=1S/C16H24N2O/c1-11-4-5-14(15(17)7-11)8-16(19)18-9-12(2)6-13(3)10-18/h4-5,7,12-13H,6,8-10,17H2,1-3H3
InChIKeyRBLXKBWYRDDINO-UHFFFAOYSA-N
XLogP2.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-methylphenyl)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 99991754
2-(3-aminophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 28689676
2-(2-aminophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79189038
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2434179
[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2434178
2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 63589232
2-(2-amino-5-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 99991735
2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 17217256
3-amino-4-[(3,5-dimethylpiperidin-1-yl)methyl]benzoic acid
CID 82165851
2-(2-chloro-4-nitrophenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 172639804
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23739221
2-(2,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 95970810

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 132649528) is 2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone is Cc1ccc(CC(=O)N2CC(C)CC(C)C2)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is RBLXKBWYRDDINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-4-5-14(15(17)7-11)8-16(19)18-9-12(2)6-13(3)10-18/h4-5,7,12-13H,6,8-10,17H2,1-3H3.
What are the key properties of 2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenyl)-1-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 132649528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).