2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one

C14H20N2O — CID 105491439

IUPAC2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one
SMILESCC(C)N1CCCC(=O)C1c1cccc(N)c1
InChIInChI=1S/C14H20N2O/c1-10(2)16-8-4-7-13(17)14(16)11-5-3-6-12(15)9-11/h3,5-6,9-10,14H,4,7-8,15H2,1-2H3
InChIKeyCHXOFCIAGYCFBK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.38
Rot. Bonds2

About 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one

2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one (PubChem CID 105491439) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one
PubChem CID105491439
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one
SMILESCC(C)N1CCCC(=O)C1c1cccc(N)c1
InChIInChI=1S/C14H20N2O/c1-10(2)16-8-4-7-13(17)14(16)11-5-3-6-12(15)9-11/h3,5-6,9-10,14H,4,7-8,15H2,1-2H3
InChIKeyCHXOFCIAGYCFBK-UHFFFAOYSA-N
XLogP2.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one?
The IUPAC name of 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one (CID 105491439) is 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one.
What is the SMILES notation for 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one?
The canonical SMILES for 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one is CC(C)N1CCCC(=O)C1c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one?
The InChIKey is CHXOFCIAGYCFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)16-8-4-7-13(17)14(16)11-5-3-6-12(15)9-11/h3,5-6,9-10,14H,4,7-8,15H2,1-2H3.
What are the key properties of 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one?
2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one has a molecular weight of 232.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-one is sourced from PubChem (CID 105491439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).