3-fluoro-N'-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide

C14H20FN3O2 — CID 43133174

IUPAC3-fluoro-N'-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CN2CCC(CO)CC2)c(F)c1
InChIInChI=1S/C14H20FN3O2/c15-13-7-11(14(16)17-20)1-2-12(13)8-18-5-3-10(9-19)4-6-18/h1-2,7,10,19-20H,3-6,8-9H2,(H2,16,17)
InChIKeyOXILKGQCJLJHLL-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.12
Rot. Bonds4

About 3-fluoro-N'-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide

3-fluoro-N'-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide (PubChem CID 43133174) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
PubChem CID43133174
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name3-fluoro-N'-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CN2CCC(CO)CC2)c(F)c1
InChIInChI=1S/C14H20FN3O2/c15-13-7-11(14(16)17-20)1-2-12(13)8-18-5-3-10(9-19)4-6-18/h1-2,7,10,19-20H,3-6,8-9H2,(H2,16,17)
InChIKeyOXILKGQCJLJHLL-UHFFFAOYSA-N
XLogP1.12
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.12
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-(morpholinomethyl)benzamidine
CID 16772099
3-fluoro-N'-hydroxy-4-[[methyl(3-oxopropyl)amino]methyl]benzenecarboximidamide
CID 129171486
3-fluoro-N'-hydroxy-4-[[3-hydroxypropyl(methyl)amino]methyl]benzenecarboximidamide
CID 165399365
3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 24693205
3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 24694417
4-[(dipropylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 24694960
3-fluoro-N'-hydroxy-4-[(4-hydroxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 24695510
3-fluoro-N'-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 24696776
4-(diethylaminomethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 24697411
3-fluoro-N'-hydroxy-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 24697594
4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 24699037
3-fluoro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 24699490

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide (CID 43133174) is 3-fluoro-N'-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide is N/C(=N\O)c1ccc(CN2CCC(CO)CC2)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The InChIKey is OXILKGQCJLJHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c15-13-7-11(14(16)17-20)1-2-12(13)8-18-5-3-10(9-19)4-6-18/h1-2,7,10,19-20H,3-6,8-9H2,(H2,16,17).
What are the key properties of 3-fluoro-N'-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide has a molecular weight of 281.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 43133174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).