2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide

C16H23FN4 — CID 79515780

IUPAC2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H23FN4/c17-13-5-4-6-14(15(13)16(18)19)21-10-7-12(11-21)20-8-2-1-3-9-20/h4-6,12H,1-3,7-11H2,(H3,18,19)
InChIKeyKOICGCNRXZYKGB-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.17
Rot. Bonds3

About 2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide

2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide (PubChem CID 79515780) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide
PubChem CID79515780
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H23FN4/c17-13-5-4-6-14(15(13)16(18)19)21-10-7-12(11-21)20-8-2-1-3-9-20/h4-6,12H,1-3,7-11H2,(H3,18,19)
InChIKeyKOICGCNRXZYKGB-UHFFFAOYSA-N
XLogP2.17
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.17
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'}

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Related Compounds

2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide
CID 79015592
2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678798
2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 107227616
2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 106587111
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-fluorophenyl]ethanone
CID 63151021
2-fluoro-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzenecarboximidamide
CID 79519738
2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide
CID 79520152
2-chloro-6-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
CID 62502937
2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 55159356
2-fluoro-6-(2-propan-2-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 79519913
2-(3-fluoro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929349
2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253606

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide (CID 79515780) is 2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1N1CCC(N2CCCCC2)C1.
What is the InChIKey of 2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide?
The InChIKey is KOICGCNRXZYKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c17-13-5-4-6-14(15(13)16(18)19)21-10-7-12(11-21)20-8-2-1-3-9-20/h4-6,12H,1-3,7-11H2,(H3,18,19).
What are the key properties of 2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide?
2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide has a molecular weight of 290.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 79515780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).