3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide

C13H18FN3O — CID 43658120

IUPAC3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide
SMILESCC1CCCCN1c1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C13H18FN3O/c1-9-4-2-3-7-17(9)12-6-5-10(8-11(12)14)13(15)16-18/h5-6,8-9,18H,2-4,7H2,1H3,(H2,15,16)
InChIKeyUCWPYSNXERWFBS-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.30
Rot. Bonds2

About 3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 43658120) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide
PubChem CID43658120
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide
SMILESCC1CCCCN1c1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C13H18FN3O/c1-9-4-2-3-7-17(9)12-6-5-10(8-11(12)14)13(15)16-18/h5-6,8-9,18H,2-4,7H2,1H3,(H2,15,16)
InChIKeyUCWPYSNXERWFBS-UHFFFAOYSA-N
XLogP2.30
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 54882615
3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide
CID 43658117
[3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone
CID 702752
3-fluoro-N'-hydroxy-4-(3-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 61226785
4-(3,4-dimethylpiperazin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77000724
N'-hydroxy-6-(2-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24711133
4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 61421396
3-fluoro-N'-hydroxy-4-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 77024723
3-fluoro-N'-hydroxy-4-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 43658121
4-(2,6-dimethylthiomorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77020685
3-fluoro-4-(2-methylpiperidin-1-yl)benzaldehyde
CID 43200239
4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658211

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide (CID 43658120) is 3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide is CC1CCCCN1c1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is UCWPYSNXERWFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-9-4-2-3-7-17(9)12-6-5-10(8-11(12)14)13(15)16-18/h5-6,8-9,18H,2-4,7H2,1H3,(H2,15,16).
What are the key properties of 3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 251.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 43658120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).