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

C16H20N6 — CID 169339750

IUPAC2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCCCN1CCN(c2ccc(NN=C(C#N)C#N)cc2)CC1
InChIInChI=1S/C16H20N6/c1-2-7-21-8-10-22(11-9-21)16-5-3-14(4-6-16)19-20-15(12-17)13-18/h3-6,19H,2,7-11H2,1H3
InChIKeyHAYDJLQVLVYMAO-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.03
Rot. Bonds5

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

2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169339750) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169339750
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESCCCN1CCN(c2ccc(NN=C(C#N)C#N)cc2)CC1
InChIInChI=1S/C16H20N6/c1-2-7-21-8-10-22(11-9-21)16-5-3-14(4-6-16)19-20-15(12-17)13-18/h3-6,19H,2,7-11H2,1H3
InChIKeyHAYDJLQVLVYMAO-UHFFFAOYSA-N
XLogP2.03
TPSA78.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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'}

Analyze 2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile
CID 169337896
2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide
CID 168522189
2-[[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile
CID 169339207
2-[4-(4-propylpiperazin-1-yl)anilino]ethanethiol
CID 112721270
4-[4-(4-propylpiperazin-1-yl)anilino]butan-1-ol
CID 112721252
N-benzyl-4-(4-propylpiperazin-1-yl)aniline
CID 112721259
ethane;1-(4-ethylphenyl)-4-propylpiperazine
CID 170586742
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
N-(2-phenylethyl)-4-(4-propylpiperazin-1-yl)aniline
CID 112721256
2-bromo-4-(4-propylpiperazin-1-yl)benzonitrile
CID 107275851
2-[(4-hexoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337835
3-(4-propylpiperazin-1-yl)benzonitrile
CID 22397822

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile (CID 169339750) is 2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile is CCCN1CCN(c2ccc(NN=C(C#N)C#N)cc2)CC1.
What is the InChIKey of 2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is HAYDJLQVLVYMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-2-7-21-8-10-22(11-9-21)16-5-3-14(4-6-16)19-20-15(12-17)13-18/h3-6,19H,2,7-11H2,1H3.
What are the key properties of 2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 296.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).