(1E)-N-anilino-2-imino-2-piperidin-1-ylethanimidoyl cyanide

C14H17N5 — CID 6401656

IUPAC(1E)-N-anilino-2-imino-2-piperidin-1-ylethanimidoyl cyanide
SMILES[H]/N=C(C(\C#N)=N\Nc1ccccc1)/N1CCCCC1
InChIInChI=1S/C14H17N5/c15-11-13(14(16)19-9-5-2-6-10-19)18-17-12-7-3-1-4-8-12/h1,3-4,7-8,16-17H,2,5-6,9-10H2/b16-14+,18-13+
InChIKeyVHUJLKRWQVDTSN-LQIPXAKMSA-N
MW255.33 g/mol
LogP2.44
Rot. Bonds3

About (1E)-N-anilino-2-imino-2-piperidin-1-ylethanimidoyl cyanide

(1E)-N-anilino-2-imino-2-piperidin-1-ylethanimidoyl cyanide (PubChem CID 6401656) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is (1E)-N-anilino-2-imino-2-piperidin-1-ylethanimidoyl cyanide.

Molecular Properties

Compound Name(1E)-N-anilino-2-imino-2-piperidin-1-ylethanimidoyl cyanide
PubChem CID6401656
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name(1E)-N-anilino-2-imino-2-piperidin-1-ylethanimidoyl cyanide
SMILES[H]/N=C(C(\C#N)=N\Nc1ccccc1)/N1CCCCC1
InChIInChI=1S/C14H17N5/c15-11-13(14(16)19-9-5-2-6-10-19)18-17-12-7-3-1-4-8-12/h1,3-4,7-8,16-17H,2,5-6,9-10H2/b16-14+,18-13+
InChIKeyVHUJLKRWQVDTSN-LQIPXAKMSA-N
XLogP2.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.44
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
(2E)-3-azepan-1-yl-3-imino-2-[(4-methylphenyl)hydrazono]propanenitrile
CID 6401033
(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
(2E)-3-imino-2-[2-(2-nitrophenyl)hydrazinylidene]-3-(piperidin-1-yl)propanenitrile
CID 6418905
2-[(4-Fluorophenyl)hydrazono]-3-imino-3-(1-piperidinyl)propanenitrile
CID 6401024
(2E)-3-azepan-1-yl-2-[(4-chlorophenyl)hydrazono]-3-iminopropanenitrile
CID 6401039
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

Frequently Asked Questions

What is the IUPAC name of (1E)-N-anilino-2-imino-2-piperidin-1-ylethanimidoyl cyanide?
The IUPAC name of (1E)-N-anilino-2-imino-2-piperidin-1-ylethanimidoyl cyanide (CID 6401656) is (1E)-N-anilino-2-imino-2-piperidin-1-ylethanimidoyl cyanide.
What is the SMILES notation for (1E)-N-anilino-2-imino-2-piperidin-1-ylethanimidoyl cyanide?
The canonical SMILES for (1E)-N-anilino-2-imino-2-piperidin-1-ylethanimidoyl cyanide is [H]/N=C(C(\C#N)=N\Nc1ccccc1)/N1CCCCC1.
What is the InChIKey of (1E)-N-anilino-2-imino-2-piperidin-1-ylethanimidoyl cyanide?
The InChIKey is VHUJLKRWQVDTSN-LQIPXAKMSA-N. The full InChI is InChI=1S/C14H17N5/c15-11-13(14(16)19-9-5-2-6-10-19)18-17-12-7-3-1-4-8-12/h1,3-4,7-8,16-17H,2,5-6,9-10H2/b16-14+,18-13+.
What are the key properties of (1E)-N-anilino-2-imino-2-piperidin-1-ylethanimidoyl cyanide?
(1E)-N-anilino-2-imino-2-piperidin-1-ylethanimidoyl cyanide has a molecular weight of 255.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-anilino-2-imino-2-piperidin-1-ylethanimidoyl cyanide is sourced from PubChem (CID 6401656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).