5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide

C13H19FN4O — CID 55232505

IUPAC5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N1CCN(CCO)CC1
InChIInChI=1S/C13H19FN4O/c14-10-1-2-12(11(9-10)13(15)16)18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8H2,(H3,15,16)
InChIKeySCGHHWFMUDDGSK-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.22
Rot. Bonds4

About 5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide

5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide (PubChem CID 55232505) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
PubChem CID55232505
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N1CCN(CCO)CC1
InChIInChI=1S/C13H19FN4O/c14-10-1-2-12(11(9-10)13(15)16)18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8H2,(H3,15,16)
InChIKeySCGHHWFMUDDGSK-UHFFFAOYSA-N
XLogP0.22
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-[4-(2-hydroxyethyl)piperazin-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 5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide (CID 55232505) is 5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1N1CCN(CCO)CC1.
What is the InChIKey of 5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide?
The InChIKey is SCGHHWFMUDDGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c14-10-1-2-12(11(9-10)13(15)16)18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8H2,(H3,15,16).
What are the key properties of 5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide?
5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide has a molecular weight of 266.32 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 55232505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).