1-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione

C16H22N2O2 — CID 114479109

IUPAC1-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCc1cc(CN)ccc1CN1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C16H22N2O2/c1-11-6-12(9-17)4-5-13(11)10-18-14(19)7-16(2,3)8-15(18)20/h4-6H,7-10,17H2,1-3H3
InChIKeyRWKXTUMDIXMBCQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.13
Rot. Bonds3

About 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione

1-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 114479109) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID114479109
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCc1cc(CN)ccc1CN1C(=O)CC(C)(C)CC1=O
InChIInChI=1S/C16H22N2O2/c1-11-6-12(9-17)4-5-13(11)10-18-14(19)7-16(2,3)8-15(18)20/h4-6H,7-10,17H2,1-3H3
InChIKeyRWKXTUMDIXMBCQ-UHFFFAOYSA-N
XLogP2.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.13
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-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione (CID 114479109) is 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione is Cc1cc(CN)ccc1CN1C(=O)CC(C)(C)CC1=O.
What is the InChIKey of 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is RWKXTUMDIXMBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-6-12(9-17)4-5-13(11)10-18-14(19)7-16(2,3)8-15(18)20/h4-6H,7-10,17H2,1-3H3.
What are the key properties of 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione?
1-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 274.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)-2-methylphenyl]methyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 114479109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).