3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide

C14H20FN3O — CID 43658248

IUPAC3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCCC2CCO)c(F)c1
InChIInChI=1S/C14H20FN3O/c15-12-9-10(14(16)17)4-5-13(12)18-7-2-1-3-11(18)6-8-19/h4-5,9,11,19H,1-3,6-8H2,(H3,16,17)
InChIKeyOSYULKMEUOKGBV-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.85
Rot. Bonds4

About 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide

3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide (PubChem CID 43658248) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
PubChem CID43658248
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCCC2CCO)c(F)c1
InChIInChI=1S/C14H20FN3O/c15-12-9-10(14(16)17)4-5-13(12)18-7-2-1-3-11(18)6-8-19/h4-5,9,11,19H,1-3,6-8H2,(H3,16,17)
InChIKeyOSYULKMEUOKGBV-UHFFFAOYSA-N
XLogP1.85
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.85
H-Bond Donors ≤ 53
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-[2-(2-hydroxyethyl)piperidin-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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide (CID 43658248) is 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCCCC2CCO)c(F)c1.
What is the InChIKey of 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
The InChIKey is OSYULKMEUOKGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-12-9-10(14(16)17)4-5-13(12)18-7-2-1-3-11(18)6-8-19/h4-5,9,11,19H,1-3,6-8H2,(H3,16,17).
What are the key properties of 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide has a molecular weight of 265.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 43658248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).