N'-cyano-4-phenylpiperazine-1-carboximidamide;ethene

C14H19N5 — CID 142010836

IUPACN'-cyano-4-phenylpiperazine-1-carboximidamide;ethene
SMILESC=C.N#C/N=C(\N)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C12H15N5.C2H4/c13-10-15-12(14)17-8-6-16(7-9-17)11-4-2-1-3-5-11;1-2/h1-5H,6-9H2,(H2,14,15);1-2H2
InChIKeyAWKRVEFIXCCVFG-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.41
Rot. Bonds1

About N'-cyano-4-phenylpiperazine-1-carboximidamide;ethene

N'-cyano-4-phenylpiperazine-1-carboximidamide;ethene (PubChem CID 142010836) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N'-cyano-4-phenylpiperazine-1-carboximidamide;ethene.

Molecular Properties

Compound NameN'-cyano-4-phenylpiperazine-1-carboximidamide;ethene
PubChem CID142010836
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN'-cyano-4-phenylpiperazine-1-carboximidamide;ethene
SMILESC=C.N#C/N=C(\N)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C12H15N5.C2H4/c13-10-15-12(14)17-8-6-16(7-9-17)11-4-2-1-3-5-11;1-2/h1-5H,6-9H2,(H2,14,15);1-2H2
InChIKeyAWKRVEFIXCCVFG-UHFFFAOYSA-N
XLogP1.41
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-4-phenylpiperazine-1-carboximidamide
CID 55064093
bis(4-phenylpiperazine-1-carbodithioate);zinc
CID 50910617
copper bis(4-phenylpiperazine-1-carbodithioate)
CID 10875189
2-[1-(4-phenyl-1,4-diazepan-1-yl)ethylidene]propanedinitrile
CID 87798940
4-(4-fluorophenyl)-N'-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111088954
N'-cyano-2,5-dihydropyrrole-1-carboximidamide
CID 118593777
3-imino-3-(4-phenylpiperazin-1-yl)propanenitrile
CID 2763621
N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111092157
N'-(N'-octylcarbamimidoyl)-4-phenylpiperazine-1-carboximidamide;hydrochloride
CID 67218505
N-(4-phenylpiperazin-1-yl)methanimine
CID 66881975
1-phenyl-4-prop-1-en-2-yl-1,4-diazepane
CID 123837973
2-[(Z)-3-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)prop-2-enylidene]propanedinitrile
CID 6113539

Frequently Asked Questions

What is the IUPAC name of N'-cyano-4-phenylpiperazine-1-carboximidamide;ethene?
The IUPAC name of N'-cyano-4-phenylpiperazine-1-carboximidamide;ethene (CID 142010836) is N'-cyano-4-phenylpiperazine-1-carboximidamide;ethene.
What is the SMILES notation for N'-cyano-4-phenylpiperazine-1-carboximidamide;ethene?
The canonical SMILES for N'-cyano-4-phenylpiperazine-1-carboximidamide;ethene is C=C.N#C/N=C(\N)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N'-cyano-4-phenylpiperazine-1-carboximidamide;ethene?
The InChIKey is AWKRVEFIXCCVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5.C2H4/c13-10-15-12(14)17-8-6-16(7-9-17)11-4-2-1-3-5-11;1-2/h1-5H,6-9H2,(H2,14,15);1-2H2.
What are the key properties of N'-cyano-4-phenylpiperazine-1-carboximidamide;ethene?
N'-cyano-4-phenylpiperazine-1-carboximidamide;ethene has a molecular weight of 257.34 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-4-phenylpiperazine-1-carboximidamide;ethene is sourced from PubChem (CID 142010836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).