(NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide

C28H30F2N4 — CID 22388606

IUPAC(NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide
SMILESCc1cccc(C)c1/C(=N/C(=N/c1ccc(F)cc1)N1CCCCC1C)Nc1ccc(F)cc1
InChIInChI=1S/C28H30F2N4/c1-19-7-6-8-20(2)26(19)27(31-24-14-10-22(29)11-15-24)33-28(34-18-5-4-9-21(34)3)32-25-16-12-23(30)13-17-25/h6-8,10-17,21H,4-5,9,18H2,1-3H3,(H,31,32,33)
InChIKeyVGLDVVGYLUKBMS-UHFFFAOYSA-N
MW460.57 g/mol
LogP7.00
Rot. Bonds3

About (NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide

(NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide (PubChem CID 22388606) has the molecular formula C28H30F2N4 and a molecular weight of 460.57 g/mol. Its IUPAC name is (NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name(NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide
PubChem CID22388606
Molecular FormulaC28H30F2N4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name(NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide
SMILESCc1cccc(C)c1/C(=N/C(=N/c1ccc(F)cc1)N1CCCCC1C)Nc1ccc(F)cc1
InChIInChI=1S/C28H30F2N4/c1-19-7-6-8-20(2)26(19)27(31-24-14-10-22(29)11-15-24)33-28(34-18-5-4-9-21(34)3)32-25-16-12-23(30)13-17-25/h6-8,10-17,21H,4-5,9,18H2,1-3H3,(H,31,32,33)
InChIKeyVGLDVVGYLUKBMS-UHFFFAOYSA-N
XLogP7.00
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(NE)-N'-(4-aminophenyl)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-2-methylpiperidine-1-carboximidamide
CID 22388621
N'-(2-chlorophenyl)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-2-methylpiperidine-1-carboximidamide
CID 54421533
(NE)-N-[(2,6-dimethylphenyl)-[4-(trifluoromethoxy)anilino]methylidene]-2-methyl-N'-phenylpiperidine-1-carboximidamide
CID 22388612
(NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)oxazinane-2-carboximidamide
CID 22388695
N'-[C-(2,6-dimethylphenyl)-N-(4-fluorophenyl)carbonimidoyl]-2-methyl-N-morpholin-4-ylpiperidine-1-carboximidamide
CID 22388644
(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide
CID 90883663
N-[(4-fluoroanilino)-(2-methylphenyl)methylidene]-4-oxo-N'-phenylpiperidine-1-carboximidamide
CID 54201843
(NZ)-N-[anilino-(2-methylphenyl)methylidene]-N'-phenylpyrrolidine-1-carboximidamide
CID 22388670
(2R)-2-methyl-N-(4-methylphenyl)piperidine-1-carbothioamide
CID 8616214
2-methyl-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6460442
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide?
The IUPAC name of (NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide (CID 22388606) is (NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide.
What is the SMILES notation for (NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide?
The canonical SMILES for (NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide is Cc1cccc(C)c1/C(=N/C(=N/c1ccc(F)cc1)N1CCCCC1C)Nc1ccc(F)cc1.
What is the InChIKey of (NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide?
The InChIKey is VGLDVVGYLUKBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N4/c1-19-7-6-8-20(2)26(19)27(31-24-14-10-22(29)11-15-24)33-28(34-18-5-4-9-21(34)3)32-25-16-12-23(30)13-17-25/h6-8,10-17,21H,4-5,9,18H2,1-3H3,(H,31,32,33).
What are the key properties of (NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide?
(NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide has a molecular weight of 460.57 g/mol, XLogP of 7.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2,6-dimethylphenyl)-(4-fluoroanilino)methylidene]-N'-(4-fluorophenyl)-2-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 22388606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).