5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide

C16H24FN3 — CID 83055936

IUPAC5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN1CCCCC1CCC
InChIInChI=1S/C16H24FN3/c1-2-5-14-6-3-4-9-20(14)11-12-7-8-13(17)10-15(12)16(18)19/h7-8,10,14H,2-6,9,11H2,1H3,(H3,18,19)
InChIKeyNDYSXOPAKDASCD-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.26
Rot. Bonds5

About 5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide

5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 83055936) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide
PubChem CID83055936
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1CN1CCCCC1CCC
InChIInChI=1S/C16H24FN3/c1-2-5-14-6-3-4-9-20(14)11-12-7-8-13(17)10-15(12)16(18)19/h7-8,10,14H,2-6,9,11H2,1H3,(H3,18,19)
InChIKeyNDYSXOPAKDASCD-UHFFFAOYSA-N
XLogP3.26
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.26
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-[(2-ethylpiperidin-1-yl)methyl]-5-fluorobenzenecarbothioamide
CID 63292628
3-[(2-ethylazepan-1-yl)methyl]-2-fluorobenzenecarboximidamide
CID 107118005
3-[(2-propylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 83055860
3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 83046101
5-fluoro-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 63291070
5-fluoro-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzenecarboximidamide
CID 63290975
2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide
CID 63290724
3-methyl-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 114485591
3-fluoro-4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 62468640
2-bromo-3-fluoro-4-(2-propylpiperidin-1-yl)benzenecarboximidamide
CID 107536563
[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine
CID 104689110
3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 83044307

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide (CID 83055936) is 5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1CN1CCCCC1CCC.
What is the InChIKey of 5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is NDYSXOPAKDASCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-2-5-14-6-3-4-9-20(14)11-12-7-8-13(17)10-15(12)16(18)19/h7-8,10,14H,2-6,9,11H2,1H3,(H3,18,19).
What are the key properties of 5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide?
5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 277.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 83055936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).