2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile

C20H20N6O — CID 169337896

IUPAC2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile
SMILESCOc1ccc(N2CCN(c3ccc(NN=C(C#N)C#N)cc3)CC2)cc1
InChIInChI=1S/C20H20N6O/c1-27-20-8-6-19(7-9-20)26-12-10-25(11-13-26)18-4-2-16(3-5-18)23-24-17(14-21)15-22/h2-9,23H,10-13H2,1H3
InChIKeyLJRYKCQLSYFBLY-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.84
Rot. Bonds5

About 2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile

2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169337896) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile
PubChem CID169337896
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile
SMILESCOc1ccc(N2CCN(c3ccc(NN=C(C#N)C#N)cc3)CC2)cc1
InChIInChI=1S/C20H20N6O/c1-27-20-8-6-19(7-9-20)26-12-10-25(11-13-26)18-4-2-16(3-5-18)23-24-17(14-21)15-22/h2-9,23H,10-13H2,1H3
InChIKeyLJRYKCQLSYFBLY-UHFFFAOYSA-N
XLogP2.84
TPSA87.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169339750
2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]anilino]methylidene]propanedinitrile
CID 168541647
2-[[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile
CID 169339207
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
(1E)-1-cyano-N-(4-methoxyphenyl)methanehydrazonoyl chloride
CID 90158450
(1Z)-2-(azepan-1-yl)-2-imino-N-(4-methoxyanilino)ethanimidoyl cyanide
CID 6399458
2-(azepan-1-yl)-2-imino-N-(4-methoxyanilino)ethanimidoyl cyanide
CID 6614543
2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169337420
2-[[4-[2-(azepan-1-yl)ethoxy]phenyl]hydrazinylidene]propanedinitrile
CID 169338348
1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide
CID 3914053
ethyl (2E)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 6880876
ethyl (2Z)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 5417584

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile (CID 169337896) is 2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile is COc1ccc(N2CCN(c3ccc(NN=C(C#N)C#N)cc3)CC2)cc1.
What is the InChIKey of 2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is LJRYKCQLSYFBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-27-20-8-6-19(7-9-20)26-12-10-25(11-13-26)18-4-2-16(3-5-18)23-24-17(14-21)15-22/h2-9,23H,10-13H2,1H3.
What are the key properties of 2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile?
2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 360.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).