N-(4-fluoroanilino)-2-imino-2-piperidin-1-ylethanimidoyl cyanide

C14H16FN5 — CID 6614529

IUPACN-(4-fluoroanilino)-2-imino-2-piperidin-1-ylethanimidoyl cyanide
SMILES[H]/N=C(/C(C#N)=NNc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C14H16FN5/c15-11-4-6-12(7-5-11)18-19-13(10-16)14(17)20-8-2-1-3-9-20/h4-7,17-18H,1-3,8-9H2/b17-14-,19-13?
InChIKeyWWBSPSFJRHDQLC-JTDYGIGJSA-N
MW273.31 g/mol
LogP2.58
Rot. Bonds3

About N-(4-fluoroanilino)-2-imino-2-piperidin-1-ylethanimidoyl cyanide

N-(4-fluoroanilino)-2-imino-2-piperidin-1-ylethanimidoyl cyanide (PubChem CID 6614529) has the molecular formula C14H16FN5 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(4-fluoroanilino)-2-imino-2-piperidin-1-ylethanimidoyl cyanide.

Molecular Properties

Compound NameN-(4-fluoroanilino)-2-imino-2-piperidin-1-ylethanimidoyl cyanide
PubChem CID6614529
Molecular FormulaC14H16FN5
Molecular Weight273.31 g/mol
Exact Mass273.14
IUPAC NameN-(4-fluoroanilino)-2-imino-2-piperidin-1-ylethanimidoyl cyanide
SMILES[H]/N=C(/C(C#N)=NNc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C14H16FN5/c15-11-4-6-12(7-5-11)18-19-13(10-16)14(17)20-8-2-1-3-9-20/h4-7,17-18H,1-3,8-9H2/b17-14-,19-13?
InChIKeyWWBSPSFJRHDQLC-JTDYGIGJSA-N
XLogP2.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'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

(2E)-3-azepan-1-yl-2-[(4-fluorophenyl)hydrazono]-3-iminopropanenitrile
CID 6401053
(2E)-3-azepan-1-yl-2-[(3-fluorophenyl)hydrazono]-3-iminopropanenitrile
CID 6401055
(1E)-2-imino-N-(4-methylanilino)-2-piperidin-1-ylethanimidoyl cyanide
CID 6401658
(1E)-N-anilino-2-(azepan-1-yl)-2-iminoethanimidoyl cyanide
CID 6401659
2-Cyano-N,N-diethyl-2-(phenyl-hydrazono)-acetamidine
CID 6415246
2-Cyano-N,N-diethyl-2-(p-tolyl-hydrazono)-acetamidine
CID 6415618
2-[(4-Fluorophenyl)hydrazono]-3-imino-3-(1-piperidinyl)propanenitrile
CID 6401024
3-Imino-2-(phenyl-hydrazono)-3-piperidin-1-yl-propionitrile
CID 6401656
2-[(4-Chloro-phenyl)-hydrazono]-3-imino-3-piperidin-1-yl-propionitrile
CID 6401660
(2Z)-3-imino-2-[2-(4-nitrophenyl)hydrazinylidene]-3-(piperidin-1-yl)propanenitrile
CID 9600500
2-[(2-Fluorophenyl)hydrazono]-3-imino-3-(1-piperidinyl)propanenitrile
CID 6401026
(2E)-3-imino-3-morpholin-4-yl-2-(phenylhydrazono)propanenitrile
CID 6401038

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoroanilino)-2-imino-2-piperidin-1-ylethanimidoyl cyanide?
The IUPAC name of N-(4-fluoroanilino)-2-imino-2-piperidin-1-ylethanimidoyl cyanide (CID 6614529) is N-(4-fluoroanilino)-2-imino-2-piperidin-1-ylethanimidoyl cyanide.
What is the SMILES notation for N-(4-fluoroanilino)-2-imino-2-piperidin-1-ylethanimidoyl cyanide?
The canonical SMILES for N-(4-fluoroanilino)-2-imino-2-piperidin-1-ylethanimidoyl cyanide is [H]/N=C(/C(C#N)=NNc1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of N-(4-fluoroanilino)-2-imino-2-piperidin-1-ylethanimidoyl cyanide?
The InChIKey is WWBSPSFJRHDQLC-JTDYGIGJSA-N. The full InChI is InChI=1S/C14H16FN5/c15-11-4-6-12(7-5-11)18-19-13(10-16)14(17)20-8-2-1-3-9-20/h4-7,17-18H,1-3,8-9H2/b17-14-,19-13?.
What are the key properties of N-(4-fluoroanilino)-2-imino-2-piperidin-1-ylethanimidoyl cyanide?
N-(4-fluoroanilino)-2-imino-2-piperidin-1-ylethanimidoyl cyanide has a molecular weight of 273.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoroanilino)-2-imino-2-piperidin-1-ylethanimidoyl cyanide is sourced from PubChem (CID 6614529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).