1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone

C15H20F2N2O — CID 103440872

IUPAC1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone
SMILESCC1CCN(C(=O)Cc2cccc(F)c2F)C(CN)C1
InChIInChI=1S/C15H20F2N2O/c1-10-5-6-19(12(7-10)9-18)14(20)8-11-3-2-4-13(16)15(11)17/h2-4,10,12H,5-9,18H2,1H3
InChIKeyWYFYOKVZELYXLU-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.09
Rot. Bonds3

About 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone

1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone (PubChem CID 103440872) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone
PubChem CID103440872
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone
SMILESCC1CCN(C(=O)Cc2cccc(F)c2F)C(CN)C1
InChIInChI=1S/C15H20F2N2O/c1-10-5-6-19(12(7-10)9-18)14(20)8-11-3-2-4-13(16)15(11)17/h2-4,10,12H,5-9,18H2,1H3
InChIKeyWYFYOKVZELYXLU-UHFFFAOYSA-N
XLogP2.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone
CID 103441123
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 103440850
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone
CID 114960255
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103441080
1-[2-(bromomethyl)azepan-1-yl]-2-(2,3-difluorophenyl)ethanone
CID 116639495
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 103441207
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 103441076
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 115963360
2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
CID 103441332
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,6-difluorophenyl)ethanone
CID 102783559
1-[2-(aminomethyl)azepan-1-yl]-2-(2,6-difluorophenyl)ethanone
CID 116639956
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone
CID 103440864

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone (CID 103440872) is 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone is CC1CCN(C(=O)Cc2cccc(F)c2F)C(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone?
The InChIKey is WYFYOKVZELYXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10-5-6-19(12(7-10)9-18)14(20)8-11-3-2-4-13(16)15(11)17/h2-4,10,12H,5-9,18H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone?
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone has a molecular weight of 282.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 103440872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).