5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide

C16H23FN4 — CID 63291070

IUPAC5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN1CCC(N2CCCC2)C1
InChIInChI=1S/C16H23FN4/c17-13-4-3-12(15(9-13)16(18)19)10-20-8-5-14(11-20)21-6-1-2-7-21/h3-4,9,14H,1-2,5-8,10-11H2,(H3,18,19)
InChIKeyJJPLLINFKRZMIH-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.78
Rot. Bonds4

About 5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide

5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 63291070) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
PubChem CID63291070
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN1CCC(N2CCCC2)C1
InChIInChI=1S/C16H23FN4/c17-13-4-3-12(15(9-13)16(18)19)10-20-8-5-14(11-20)21-6-1-2-7-21/h3-4,9,14H,1-2,5-8,10-11H2,(H3,18,19)
InChIKeyJJPLLINFKRZMIH-UHFFFAOYSA-N
XLogP1.78
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.78
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

3-chloro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 102667918
[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63289543
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 63170241
5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 83055936
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-fluoroaniline
CID 79931916
3-fluoro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 63169839
3-fluoro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 64768274
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882044
3-fluoro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 63531304
[4-fluoro-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 64768136
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-fluorobenzenecarboximidamide
CID 63290667
2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide
CID 63290724

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide (CID 63291070) is 5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1CN1CCC(N2CCCC2)C1.
What is the InChIKey of 5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is JJPLLINFKRZMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c17-13-4-3-12(15(9-13)16(18)19)10-20-8-5-14(11-20)21-6-1-2-7-21/h3-4,9,14H,1-2,5-8,10-11H2,(H3,18,19).
What are the key properties of 5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide?
5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 290.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 63291070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).