3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide

C15H23FN4 — CID 62547662

IUPAC3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)C2CCCN(C)C2)c(F)c1
InChIInChI=1S/C15H23FN4/c1-19-7-3-4-13(10-19)20(2)9-12-6-5-11(15(17)18)8-14(12)16/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H3,17,18)
InChIKeyAJTHLEKJLZKGTJ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.64
Rot. Bonds4

About 3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide

3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide (PubChem CID 62547662) has the molecular formula C15H23FN4 and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide
PubChem CID62547662
Molecular FormulaC15H23FN4
Molecular Weight278.38 g/mol
Exact Mass278.19
IUPAC Name3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)C2CCCN(C)C2)c(F)c1
InChIInChI=1S/C15H23FN4/c1-19-7-3-4-13(10-19)20(2)9-12-6-5-11(15(17)18)8-14(12)16/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H3,17,18)
InChIKeyAJTHLEKJLZKGTJ-UHFFFAOYSA-N
XLogP1.64
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide 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

3-fluoro-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 63207857
4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide
CID 107458463
3-bromo-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide
CID 82799753
3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide
CID 102667749
3-chloro-N'-hydroxy-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 102666920
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide
CID 114483486
3-fluoro-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzoic acid
CID 63073186
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide
CID 62887717
3-fluoro-4-[[methyl(pentan-2-yl)amino]methyl]benzenecarboximidamide
CID 43572176
N-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 81117134
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-3-fluorobenzenecarboximidamide
CID 79188251
N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79583035

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide (CID 62547662) is 3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)C2CCCN(C)C2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide?
The InChIKey is AJTHLEKJLZKGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4/c1-19-7-3-4-13(10-19)20(2)9-12-6-5-11(15(17)18)8-14(12)16/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H3,17,18).
What are the key properties of 3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide?
3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide has a molecular weight of 278.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 62547662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).