2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide

C14H20FN3 — CID 79520152

IUPAC2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N1CCCC(C)(C)C1
InChIInChI=1S/C14H20FN3/c1-14(2)7-4-8-18(9-14)11-6-3-5-10(15)12(11)13(16)17/h3,5-6H,4,7-9H2,1-2H3,(H3,16,17)
InChIKeyCLKKTJVJUVJQGT-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.74
Rot. Bonds2

About 2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide

2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide (PubChem CID 79520152) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide
PubChem CID79520152
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N1CCCC(C)(C)C1
InChIInChI=1S/C14H20FN3/c1-14(2)7-4-8-18(9-14)11-6-3-5-10(15)12(11)13(16)17/h3,5-6H,4,7-9H2,1-2H3,(H3,16,17)
InChIKeyCLKKTJVJUVJQGT-UHFFFAOYSA-N
XLogP2.74
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide
CID 79015592
2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 107392884
2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzonitrile
CID 78957669
2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678798
1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79512519
2-fluoro-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenecarboximidamide
CID 107223288
2-fluoro-6-(3-methoxy-3-methylpiperidin-1-yl)benzenecarbothioamide
CID 107392701
2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 106587111
2-bromo-6-(3,3-dimethylpiperidin-1-yl)benzoic acid
CID 114888260
2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 107227616
2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253606
2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 79515780

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide?
The IUPAC name of 2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide (CID 79520152) is 2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1N1CCCC(C)(C)C1.
What is the InChIKey of 2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide?
The InChIKey is CLKKTJVJUVJQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-14(2)7-4-8-18(9-14)11-6-3-5-10(15)12(11)13(16)17/h3,5-6H,4,7-9H2,1-2H3,(H3,16,17).
What are the key properties of 2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide?
2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide has a molecular weight of 249.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 79520152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).