2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide

C14H20FN3O — CID 106587111

IUPAC2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N1CCCC(COC)C1
InChIInChI=1S/C14H20FN3O/c1-19-9-10-4-3-7-18(8-10)12-6-2-5-11(15)13(12)14(16)17/h2,5-6,10H,3-4,7-9H2,1H3,(H3,16,17)
InChIKeyLTCWYUIHXDPDMN-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.97
Rot. Bonds4

About 2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide

2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide (PubChem CID 106587111) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
PubChem CID106587111
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N1CCCC(COC)C1
InChIInChI=1S/C14H20FN3O/c1-19-9-10-4-3-7-18(8-10)12-6-2-5-11(15)13(12)14(16)17/h2,5-6,10H,3-4,7-9H2,1H3,(H3,16,17)
InChIKeyLTCWYUIHXDPDMN-UHFFFAOYSA-N
XLogP1.97
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.97
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide (CID 106587111) is 2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1N1CCCC(COC)C1.
What is the InChIKey of 2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide?
The InChIKey is LTCWYUIHXDPDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-19-9-10-4-3-7-18(8-10)12-6-2-5-11(15)13(12)14(16)17/h2,5-6,10H,3-4,7-9H2,1H3,(H3,16,17).
What are the key properties of 2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide?
2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide has a molecular weight of 265.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 106587111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).