(Z)-2-phenyl-3-(4-piperazin-1-ylphenyl)prop-2-enenitrile

C19H19N3 — CID 57342539

IUPAC(Z)-2-phenyl-3-(4-piperazin-1-ylphenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N2CCNCC2)cc1)c1ccccc1
InChIInChI=1S/C19H19N3/c20-15-18(17-4-2-1-3-5-17)14-16-6-8-19(9-7-16)22-12-10-21-11-13-22/h1-9,14,21H,10-13H2/b18-14+
InChIKeyYFEULABCMGCGES-NBVRZTHBSA-N
MW289.38 g/mol
LogP3.16
Rot. Bonds3

About (Z)-2-phenyl-3-(4-piperazin-1-ylphenyl)prop-2-enenitrile

(Z)-2-phenyl-3-(4-piperazin-1-ylphenyl)prop-2-enenitrile (PubChem CID 57342539) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (Z)-2-phenyl-3-(4-piperazin-1-ylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-phenyl-3-(4-piperazin-1-ylphenyl)prop-2-enenitrile
PubChem CID57342539
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name(Z)-2-phenyl-3-(4-piperazin-1-ylphenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N2CCNCC2)cc1)c1ccccc1
InChIInChI=1S/C19H19N3/c20-15-18(17-4-2-1-3-5-17)14-16-6-8-19(9-7-16)22-12-10-21-11-13-22/h1-9,14,21H,10-13H2/b18-14+
InChIKeyYFEULABCMGCGES-NBVRZTHBSA-N
XLogP3.16
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-phenyl-3-(4-piperazin-1-ylphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-phenyl-3-(4-piperazin-1-ylphenyl)prop-2-enenitrile (CID 57342539) is (Z)-2-phenyl-3-(4-piperazin-1-ylphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-phenyl-3-(4-piperazin-1-ylphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-phenyl-3-(4-piperazin-1-ylphenyl)prop-2-enenitrile is N#C/C(=C\c1ccc(N2CCNCC2)cc1)c1ccccc1.
What is the InChIKey of (Z)-2-phenyl-3-(4-piperazin-1-ylphenyl)prop-2-enenitrile?
The InChIKey is YFEULABCMGCGES-NBVRZTHBSA-N. The full InChI is InChI=1S/C19H19N3/c20-15-18(17-4-2-1-3-5-17)14-16-6-8-19(9-7-16)22-12-10-21-11-13-22/h1-9,14,21H,10-13H2/b18-14+.
What are the key properties of (Z)-2-phenyl-3-(4-piperazin-1-ylphenyl)prop-2-enenitrile?
(Z)-2-phenyl-3-(4-piperazin-1-ylphenyl)prop-2-enenitrile has a molecular weight of 289.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-phenyl-3-(4-piperazin-1-ylphenyl)prop-2-enenitrile is sourced from PubChem (CID 57342539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).