6-[2-(aminomethyl)phenyl]-1-methylpiperidine-2,5-dione

C13H16N2O2 — CID 105490914

IUPAC6-[2-(aminomethyl)phenyl]-1-methylpiperidine-2,5-dione
SMILESCN1C(=O)CCC(=O)C1c1ccccc1CN
InChIInChI=1S/C13H16N2O2/c1-15-12(17)7-6-11(16)13(15)10-5-3-2-4-9(10)8-14/h2-5,13H,6-8,14H2,1H3
InChIKeyTUUSIBHKAQJHKU-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.01
Rot. Bonds2

About 6-[2-(aminomethyl)phenyl]-1-methylpiperidine-2,5-dione

6-[2-(aminomethyl)phenyl]-1-methylpiperidine-2,5-dione (PubChem CID 105490914) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-[2-(aminomethyl)phenyl]-1-methylpiperidine-2,5-dione.

Molecular Properties

Compound Name6-[2-(aminomethyl)phenyl]-1-methylpiperidine-2,5-dione
PubChem CID105490914
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-[2-(aminomethyl)phenyl]-1-methylpiperidine-2,5-dione
SMILESCN1C(=O)CCC(=O)C1c1ccccc1CN
InChIInChI=1S/C13H16N2O2/c1-15-12(17)7-6-11(16)13(15)10-5-3-2-4-9(10)8-14/h2-5,13H,6-8,14H2,1H3
InChIKeyTUUSIBHKAQJHKU-UHFFFAOYSA-N
XLogP1.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)phenyl]-1-methylpiperidine-2,5-dione?
The IUPAC name of 6-[2-(aminomethyl)phenyl]-1-methylpiperidine-2,5-dione (CID 105490914) is 6-[2-(aminomethyl)phenyl]-1-methylpiperidine-2,5-dione.
What is the SMILES notation for 6-[2-(aminomethyl)phenyl]-1-methylpiperidine-2,5-dione?
The canonical SMILES for 6-[2-(aminomethyl)phenyl]-1-methylpiperidine-2,5-dione is CN1C(=O)CCC(=O)C1c1ccccc1CN.
What is the InChIKey of 6-[2-(aminomethyl)phenyl]-1-methylpiperidine-2,5-dione?
The InChIKey is TUUSIBHKAQJHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15-12(17)7-6-11(16)13(15)10-5-3-2-4-9(10)8-14/h2-5,13H,6-8,14H2,1H3.
What are the key properties of 6-[2-(aminomethyl)phenyl]-1-methylpiperidine-2,5-dione?
6-[2-(aminomethyl)phenyl]-1-methylpiperidine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)phenyl]-1-methylpiperidine-2,5-dione is sourced from PubChem (CID 105490914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).