(Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine

C18H19FN2O — CID 166232892

IUPAC(Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine
SMILESFc1ccc(CO/N=C2/CCCC(c3cccnc3)C2)cc1
InChIInChI=1S/C18H19FN2O/c19-17-8-6-14(7-9-17)13-22-21-18-5-1-3-15(11-18)16-4-2-10-20-12-16/h2,4,6-10,12,15H,1,3,5,11,13H2/b21-18-
InChIKeyXGOKEPUMMMAOFB-UZYVYHOESA-N
MW298.36 g/mol
LogP4.45
Rot. Bonds4

About (Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine

(Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine (PubChem CID 166232892) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is (Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine.

Molecular Properties

Compound Name(Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine
PubChem CID166232892
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name(Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine
SMILESFc1ccc(CO/N=C2/CCCC(c3cccnc3)C2)cc1
InChIInChI=1S/C18H19FN2O/c19-17-8-6-14(7-9-17)13-22-21-18-5-1-3-15(11-18)16-4-2-10-20-12-16/h2,4,6-10,12,15H,1,3,5,11,13H2/b21-18-
InChIKeyXGOKEPUMMMAOFB-UZYVYHOESA-N
XLogP4.45
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(4-fluorophenyl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine
CID 134098394
3-pyridin-3-ylcyclopentan-1-one
CID 59265971
(5R)-5-pyridin-3-yl-4,5,6,7-tetrahydro-1H-indazole
CID 124604592
4-pyridin-3-ylazepane
CID 83262248
3-pyrrolidin-3-ylpyridine
CID 3613651
3-[3-(3,5-dipyridin-3-ylcyclohexyl)-5-pyridin-3-ylcyclohexyl]pyridine
CID 58652188
3-piperidin-4-ylpyridine;dihydrochloride
CID 21192973
trans-(1R,3R)-3-pyridin-3-ylcyclohexan-1-ol
CID 67133890
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 14720329
(2E)-2-[(2E)-2-[(4-fluorophenyl)methoxyimino]ethylidene]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide
CID 10340768
N'-[(4-fluorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 60602599

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine?
The IUPAC name of (Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine (CID 166232892) is (Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine.
What is the SMILES notation for (Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine?
The canonical SMILES for (Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine is Fc1ccc(CO/N=C2/CCCC(c3cccnc3)C2)cc1.
What is the InChIKey of (Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine?
The InChIKey is XGOKEPUMMMAOFB-UZYVYHOESA-N. The full InChI is InChI=1S/C18H19FN2O/c19-17-8-6-14(7-9-17)13-22-21-18-5-1-3-15(11-18)16-4-2-10-20-12-16/h2,4,6-10,12,15H,1,3,5,11,13H2/b21-18-.
What are the key properties of (Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine?
(Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine has a molecular weight of 298.36 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(4-fluorophenyl)methoxy]-3-pyridin-3-ylcyclohexan-1-imine is sourced from PubChem (CID 166232892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).