2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide

C16H24FN3O — CID 76994265

IUPAC2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1(C)CCN(Cc2ccc(F)cc2C(N)=NO)CC1
InChIInChI=1S/C16H24FN3O/c1-3-16(2)6-8-20(9-7-16)11-12-4-5-13(17)10-14(12)15(18)19-21/h4-5,10,21H,3,6-9,11H2,1-2H3,(H2,18,19)
InChIKeyAXRKYCQUHVDICS-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.93
Rot. Bonds4

About 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide

2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 76994265) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID76994265
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1(C)CCN(Cc2ccc(F)cc2C(N)=NO)CC1
InChIInChI=1S/C16H24FN3O/c1-3-16(2)6-8-20(9-7-16)11-12-4-5-13(17)10-14(12)15(18)19-21/h4-5,10,21H,3,6-9,11H2,1-2H3,(H2,18,19)
InChIKeyAXRKYCQUHVDICS-UHFFFAOYSA-N
XLogP2.93
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.93
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

5-fluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 106836113
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994220
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline
CID 63156387
2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994241
5-fluoro-N'-hydroxy-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]benzenecarboximidamide
CID 55171557
5-fluoro-N'-hydroxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 76997460
5-fluoro-N'-hydroxy-2-[[(1-methylcyclopropyl)methylamino]methyl]benzenecarboximidamide
CID 114100382
5-fluoro-N'-hydroxy-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]benzenecarboximidamide
CID 76994225
1-[(5-fluoro-2-methylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161911
4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482998
2-[(2,3-dimethylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994486
2-[(1,3-dihydroxypropan-2-ylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77065005

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 76994265) is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide is CCC1(C)CCN(Cc2ccc(F)cc2C(N)=NO)CC1.
What is the InChIKey of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is AXRKYCQUHVDICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-3-16(2)6-8-20(9-7-16)11-12-4-5-13(17)10-14(12)15(18)19-21/h4-5,10,21H,3,6-9,11H2,1-2H3,(H2,18,19).
What are the key properties of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 293.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76994265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).