N'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide

C20H24FN3O — CID 72684731

IUPACN'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
SMILESNC(=NOCc1cccc(F)c1)c1ccccc1CN1CCCCC1
InChIInChI=1S/C20H24FN3O/c21-18-9-6-7-16(13-18)15-25-23-20(22)19-10-3-2-8-17(19)14-24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14-15H2,(H2,22,23)
InChIKeyRDQWHAKDNZQUKN-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.65
Rot. Bonds6

About N'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide

N'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide (PubChem CID 72684731) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
PubChem CID72684731
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
SMILESNC(=NOCc1cccc(F)c1)c1ccccc1CN1CCCCC1
InChIInChI=1S/C20H24FN3O/c21-18-9-6-7-16(13-18)15-25-23-20(22)19-10-3-2-8-17(19)14-24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14-15H2,(H2,22,23)
InChIKeyRDQWHAKDNZQUKN-UHFFFAOYSA-N
XLogP3.65
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide (CID 72684731) is N'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide is NC(=NOCc1cccc(F)c1)c1ccccc1CN1CCCCC1.
What is the InChIKey of N'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide?
The InChIKey is RDQWHAKDNZQUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-18-9-6-7-16(13-18)15-25-23-20(22)19-10-3-2-8-17(19)14-24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14-15H2,(H2,22,23).
What are the key properties of N'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide?
N'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide has a molecular weight of 341.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 72684731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).