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

C14H20FN3O2 — CID 43590327

IUPAC3-fluoro-N'-hydroxy-4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CN2CCCC(CO)C2)c(F)c1
InChIInChI=1S/C14H20FN3O2/c15-13-6-11(14(16)17-20)3-4-12(13)8-18-5-1-2-10(7-18)9-19/h3-4,6,10,19-20H,1-2,5,7-9H2,(H2,16,17)
InChIKeyPOBAPEUQSOJTCJ-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.12
Rot. Bonds4

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

3-fluoro-N'-hydroxy-4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide (PubChem CID 43590327) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
PubChem CID43590327
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name3-fluoro-N'-hydroxy-4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CN2CCCC(CO)C2)c(F)c1
InChIInChI=1S/C14H20FN3O2/c15-13-6-11(14(16)17-20)3-4-12(13)8-18-5-1-2-10(7-18)9-19/h3-4,6,10,19-20H,1-2,5,7-9H2,(H2,16,17)
InChIKeyPOBAPEUQSOJTCJ-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

(1-(4-Fluorobenzyl)piperidin-3-yl)methanol
CID 2843084
3-fluoro-N'-hydroxy-4-[[3-hydroxypropyl(methyl)amino]methyl]benzenecarboximidamide
CID 165399365
[1-(2-Fluoro-benzyl)-piperidin-3-yl]-methanol
CID 3831790
[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 7047159
[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 7047161
3-fluoro-N'-hydroxy-4-[(3-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 24693205
3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 24694417
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-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 24699037
3-Fluoro-4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 24706842
3-fluoro-N'-hydroxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 24707492

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide (CID 43590327) is 3-fluoro-N'-hydroxy-4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide is N/C(=N\O)c1ccc(CN2CCCC(CO)C2)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The InChIKey is POBAPEUQSOJTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c15-13-6-11(14(16)17-20)3-4-12(13)8-18-5-1-2-10(7-18)9-19/h3-4,6,10,19-20H,1-2,5,7-9H2,(H2,16,17).
What are the key properties of 3-fluoro-N'-hydroxy-4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-[[3-(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-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 43590327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).