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

C20H24FN3O — CID 52787578

IUPACN'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\OCc1ccccc1F)c1ccccc1CN1CCCCC1
InChIInChI=1S/C20H24FN3O/c21-19-11-5-3-9-17(19)15-25-23-20(22)18-10-4-2-8-16(18)14-24-12-6-1-7-13-24/h2-5,8-11H,1,6-7,12-15H2,(H2,22,23)
InChIKeyXZFBZTQSUKDKIO-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.65
Rot. Bonds6

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

N'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide (PubChem CID 52787578) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
PubChem CID52787578
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\OCc1ccccc1F)c1ccccc1CN1CCCCC1
InChIInChI=1S/C20H24FN3O/c21-19-11-5-3-9-17(19)15-25-23-20(22)18-10-4-2-8-16(18)14-24-12-6-1-7-13-24/h2-5,8-11H,1,6-7,12-15H2,(H2,22,23)
InChIKeyXZFBZTQSUKDKIO-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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Related Compounds

5-(2,4-Difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 2998681
4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 12674725
N'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 75939506
4-fluoro-N'-[[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methoxy]benzenecarboximidamide
CID 143331168
3-(4-fluorophenyl)-6,6-dimethyl-4-phenylmethoxy-5H-1,2,4-oxadiazine
CID 174888085
5-Butyl-3,6-diphenyl-4,6-dihydro-1,2,5-oxadiazine
CID 86248628
(5S)-5-(2,6-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 2346998
(5S)-5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 2645872
(5R)-5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 2645875
5-(2,6-Difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 4963255
N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide
CID 9116988
N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide
CID 9754389

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide (CID 52787578) is N'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide is N/C(=N\OCc1ccccc1F)c1ccccc1CN1CCCCC1.
What is the InChIKey of N'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide?
The InChIKey is XZFBZTQSUKDKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-19-11-5-3-9-17(19)15-25-23-20(22)18-10-4-2-8-16(18)14-24-12-6-1-7-13-24/h2-5,8-11H,1,6-7,12-15H2,(H2,22,23).
What are the key properties of N'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide?
N'-[(2-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'-[(2-fluorophenyl)methoxy]-2-(piperidin-1-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 52787578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).