4-amino-6-(3-methylphenyl)piperidin-2-one

C12H16N2O — CID 83819738

IUPAC4-amino-6-(3-methylphenyl)piperidin-2-one
SMILESCc1cccc(C2CC(N)CC(=O)N2)c1
InChIInChI=1S/C12H16N2O/c1-8-3-2-4-9(5-8)11-6-10(13)7-12(15)14-11/h2-5,10-11H,6-7,13H2,1H3,(H,14,15)
InChIKeyLINAQYNDNUFTON-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.27
Rot. Bonds1

About 4-amino-6-(3-methylphenyl)piperidin-2-one

4-amino-6-(3-methylphenyl)piperidin-2-one (PubChem CID 83819738) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-amino-6-(3-methylphenyl)piperidin-2-one.

Molecular Properties

Compound Name4-amino-6-(3-methylphenyl)piperidin-2-one
PubChem CID83819738
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-amino-6-(3-methylphenyl)piperidin-2-one
SMILESCc1cccc(C2CC(N)CC(=O)N2)c1
InChIInChI=1S/C12H16N2O/c1-8-3-2-4-9(5-8)11-6-10(13)7-12(15)14-11/h2-5,10-11H,6-7,13H2,1H3,(H,14,15)
InChIKeyLINAQYNDNUFTON-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(3-methylphenyl)piperidin-2-one?
The IUPAC name of 4-amino-6-(3-methylphenyl)piperidin-2-one (CID 83819738) is 4-amino-6-(3-methylphenyl)piperidin-2-one.
What is the SMILES notation for 4-amino-6-(3-methylphenyl)piperidin-2-one?
The canonical SMILES for 4-amino-6-(3-methylphenyl)piperidin-2-one is Cc1cccc(C2CC(N)CC(=O)N2)c1.
What is the InChIKey of 4-amino-6-(3-methylphenyl)piperidin-2-one?
The InChIKey is LINAQYNDNUFTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-3-2-4-9(5-8)11-6-10(13)7-12(15)14-11/h2-5,10-11H,6-7,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-6-(3-methylphenyl)piperidin-2-one?
4-amino-6-(3-methylphenyl)piperidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(3-methylphenyl)piperidin-2-one is sourced from PubChem (CID 83819738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).