1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione

C14H18N2O2 — CID 62933100

IUPAC1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione
SMILESCc1cc(N)c(N2C(=O)CC(C)CC2=O)cc1C
InChIInChI=1S/C14H18N2O2/c1-8-4-13(17)16(14(18)5-8)12-7-10(3)9(2)6-11(12)15/h6-8H,4-5,15H2,1-3H3
InChIKeyNWFMLLFSEWHTHL-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.18
Rot. Bonds1

About 1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione

1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione (PubChem CID 62933100) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione
PubChem CID62933100
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione
SMILESCc1cc(N)c(N2C(=O)CC(C)CC2=O)cc1C
InChIInChI=1S/C14H18N2O2/c1-8-4-13(17)16(14(18)5-8)12-7-10(3)9(2)6-11(12)15/h6-8H,4-5,15H2,1-3H3
InChIKeyNWFMLLFSEWHTHL-UHFFFAOYSA-N
XLogP2.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione (CID 62933100) is 1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione is Cc1cc(N)c(N2C(=O)CC(C)CC2=O)cc1C.
What is the InChIKey of 1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione?
The InChIKey is NWFMLLFSEWHTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-8-4-13(17)16(14(18)5-8)12-7-10(3)9(2)6-11(12)15/h6-8H,4-5,15H2,1-3H3.
What are the key properties of 1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione?
1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione has a molecular weight of 246.31 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,5-dimethylphenyl)-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 62933100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).