2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride

C13H20ClFN4O — CID 82253606

IUPAC2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1c(F)cccc1N1CCN(CCO)CC1
InChIInChI=1S/C13H19FN4O.ClH/c14-10-2-1-3-11(12(10)13(15)16)18-6-4-17(5-7-18)8-9-19;/h1-3,19H,4-9H2,(H3,15,16);1H
InChIKeyRNZPSWQNHQWGMY-UHFFFAOYSA-N
MW302.78 g/mol
LogP0.65
Rot. Bonds4

About 2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride

2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride (PubChem CID 82253606) has the molecular formula C13H20ClFN4O and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
PubChem CID82253606
Molecular FormulaC13H20ClFN4O
Molecular Weight302.78 g/mol
Exact Mass302.13
IUPAC Name2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1c(F)cccc1N1CCN(CCO)CC1
InChIInChI=1S/C13H19FN4O.ClH/c14-10-2-1-3-11(12(10)13(15)16)18-6-4-17(5-7-18)8-9-19;/h1-3,19H,4-9H2,(H3,15,16);1H
InChIKeyRNZPSWQNHQWGMY-UHFFFAOYSA-N
XLogP0.65
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 50.65
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'}

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Related Compounds

2-fluoro-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenecarboximidamide
CID 107223288
2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide
CID 79015592
3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253607
2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
CID 43592118
2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 107227616
5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
CID 55232505
2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 62502940
2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678798
5-bromo-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
CID 114892880
2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 106587111
2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide
CID 79520152
2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 79515780

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride?
The IUPAC name of 2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride (CID 82253606) is 2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1c(F)cccc1N1CCN(CCO)CC1.
What is the InChIKey of 2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride?
The InChIKey is RNZPSWQNHQWGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O.ClH/c14-10-2-1-3-11(12(10)13(15)16)18-6-4-17(5-7-18)8-9-19;/h1-3,19H,4-9H2,(H3,15,16);1H.
What are the key properties of 2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride?
2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride has a molecular weight of 302.78 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82253606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).