3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide

C13H18FN3O — CID 43658309

IUPAC3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(OC)CC2)c(F)c1
InChIInChI=1S/C13H18FN3O/c1-18-10-4-6-17(7-5-10)12-3-2-9(13(15)16)8-11(12)14/h2-3,8,10H,4-7H2,1H3,(H3,15,16)
InChIKeyHHXVOJHLLLGRSN-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.72
Rot. Bonds3

About 3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide

3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide (PubChem CID 43658309) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide
PubChem CID43658309
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(OC)CC2)c(F)c1
InChIInChI=1S/C13H18FN3O/c1-18-10-4-6-17(7-5-10)12-3-2-9(13(15)16)8-11(12)14/h2-3,8,10H,4-7H2,1H3,(H3,15,16)
InChIKeyHHXVOJHLLLGRSN-UHFFFAOYSA-N
XLogP1.72
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.72
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-(4-methoxypiperidin-1-yl)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-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253493
3-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 112625734
4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide
CID 61441546
3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
CID 113417637
4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide
CID 61433267
2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43372984
3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 66391530
4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534085
3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253607
4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide
CID 55050286
1-(2-fluorophenyl)-4-methoxypiperidine
CID 15403847
4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
CID 81054462

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide (CID 43658309) is 3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCC(OC)CC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide?
The InChIKey is HHXVOJHLLLGRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-18-10-4-6-17(7-5-10)12-3-2-9(13(15)16)8-11(12)14/h2-3,8,10H,4-7H2,1H3,(H3,15,16).
What are the key properties of 3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide?
3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide has a molecular weight of 251.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 43658309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).