4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one

C12H15FN2O — CID 105479086

IUPAC4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one
SMILESNCC1CC(=O)NC(c2ccccc2F)C1
InChIInChI=1S/C12H15FN2O/c13-10-4-2-1-3-9(10)11-5-8(7-14)6-12(16)15-11/h1-4,8,11H,5-7,14H2,(H,15,16)
InChIKeyRPMFEKCMWWGLFS-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.35
Rot. Bonds2

About 4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one

4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one (PubChem CID 105479086) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one
PubChem CID105479086
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one
SMILESNCC1CC(=O)NC(c2ccccc2F)C1
InChIInChI=1S/C12H15FN2O/c13-10-4-2-1-3-9(10)11-5-8(7-14)6-12(16)15-11/h1-4,8,11H,5-7,14H2,(H,15,16)
InChIKeyRPMFEKCMWWGLFS-UHFFFAOYSA-N
XLogP1.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one?
The IUPAC name of 4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one (CID 105479086) is 4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one?
The canonical SMILES for 4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one is NCC1CC(=O)NC(c2ccccc2F)C1.
What is the InChIKey of 4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one?
The InChIKey is RPMFEKCMWWGLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-4-2-1-3-9(10)11-5-8(7-14)6-12(16)15-11/h1-4,8,11H,5-7,14H2,(H,15,16).
What are the key properties of 4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one?
4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one has a molecular weight of 222.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one is sourced from PubChem (CID 105479086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).