3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide

C13H18FN3O — CID 24694417

IUPAC3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CN2CCCCC2)c(F)c1
InChIInChI=1S/C13H18FN3O/c14-12-8-10(13(15)16-18)4-5-11(12)9-17-6-2-1-3-7-17/h4-5,8,18H,1-3,6-7,9H2,(H2,15,16)
InChIKeyUNHBSGWJAUXAKZ-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.91
Rot. Bonds3

About 3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide

3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide (PubChem CID 24694417) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
PubChem CID24694417
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CN2CCCCC2)c(F)c1
InChIInChI=1S/C13H18FN3O/c14-12-8-10(13(15)16-18)4-5-11(12)9-17-6-2-1-3-7-17/h4-5,8,18H,1-3,6-7,9H2,(H2,15,16)
InChIKeyUNHBSGWJAUXAKZ-UHFFFAOYSA-N
XLogP1.91
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.91
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

4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 24705768
4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 106669732
4-(azocan-1-ylmethyl)-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102666797
4-[(4-ethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76903859
3-fluoro-N'-hydroxy-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzenecarboximidamide
CID 77031243
4-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24701931
3-fluoro-N'-hydroxy-4-(hydroxymethyl)benzenecarboximidamide
CID 50941129
4-[(2,3-dimethylpiperidin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76936229
3-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24695733
3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide
CID 43658117
4-[(3,5-difluoroanilino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77029354
4-[(cyclopentylmethylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77030237

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide (CID 24694417) is 3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide is N/C(=N\O)c1ccc(CN2CCCCC2)c(F)c1.
What is the InChIKey of 3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide?
The InChIKey is UNHBSGWJAUXAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-12-8-10(13(15)16-18)4-5-11(12)9-17-6-2-1-3-7-17/h4-5,8,18H,1-3,6-7,9H2,(H2,15,16).
What are the key properties of 3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide?
3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide has a molecular weight of 251.30 g/mol, XLogP of 1.91, 3 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-(piperidin-1-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 24694417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).