1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione

C15H20N2O2 — CID 79507026

IUPAC1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione
SMILESCc1ccc(C(N)CN2C(=O)CC(C)CC2=O)cc1
InChIInChI=1S/C15H20N2O2/c1-10-3-5-12(6-4-10)13(16)9-17-14(18)7-11(2)8-15(17)19/h3-6,11,13H,7-9,16H2,1-2H3
InChIKeyTYXWUZBPQJNHKA-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.78
Rot. Bonds3

About 1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione

1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione (PubChem CID 79507026) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione
PubChem CID79507026
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione
SMILESCc1ccc(C(N)CN2C(=O)CC(C)CC2=O)cc1
InChIInChI=1S/C15H20N2O2/c1-10-3-5-12(6-4-10)13(16)9-17-14(18)7-11(2)8-15(17)19/h3-6,11,13H,7-9,16H2,1-2H3
InChIKeyTYXWUZBPQJNHKA-UHFFFAOYSA-N
XLogP1.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione (CID 79507026) is 1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione is Cc1ccc(C(N)CN2C(=O)CC(C)CC2=O)cc1.
What is the InChIKey of 1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione?
The InChIKey is TYXWUZBPQJNHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-3-5-12(6-4-10)13(16)9-17-14(18)7-11(2)8-15(17)19/h3-6,11,13H,7-9,16H2,1-2H3.
What are the key properties of 1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione?
1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione has a molecular weight of 260.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(4-methylphenyl)ethyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 79507026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).