(Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride

C28H34Cl2N2O — CID 155516697

IUPAC(Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride
SMILESCc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCNCC3)cc2)cc1.Cl.Cl
InChIInChI=1S/C28H32N2O.2ClH/c1-22-9-11-24(12-10-22)28(27(8-5-21-31)23-6-3-2-4-7-23)25-13-15-26(16-14-25)30-19-17-29-18-20-30;;/h2-4,6-7,9-16,29,31H,5,8,17-21H2,1H3;2*1H/b28-27-;;
InChIKeyQEMNXXNSEDHDDD-XRKMDJMPSA-N
MW485.50 g/mol
LogP5.98
Rot. Bonds7

About (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride

(Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride (PubChem CID 155516697) has the molecular formula C28H34Cl2N2O and a molecular weight of 485.50 g/mol. Its IUPAC name is (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride.

Molecular Properties

Compound Name(Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride
PubChem CID155516697
Molecular FormulaC28H34Cl2N2O
Molecular Weight485.50 g/mol
Exact Mass484.20
IUPAC Name(Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride
SMILESCc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCNCC3)cc2)cc1.Cl.Cl
InChIInChI=1S/C28H32N2O.2ClH/c1-22-9-11-24(12-10-22)28(27(8-5-21-31)23-6-3-2-4-7-23)25-13-15-26(16-14-25)30-19-17-29-18-20-30;;/h2-4,6-7,9-16,29,31H,5,8,17-21H2,1H3;2*1H/b28-27-;;
InChIKeyQEMNXXNSEDHDDD-XRKMDJMPSA-N
XLogP5.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.50
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride?
The IUPAC name of (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride (CID 155516697) is (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride.
What is the SMILES notation for (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride?
The canonical SMILES for (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride is Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCNCC3)cc2)cc1.Cl.Cl.
What is the InChIKey of (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride?
The InChIKey is QEMNXXNSEDHDDD-XRKMDJMPSA-N. The full InChI is InChI=1S/C28H32N2O.2ClH/c1-22-9-11-24(12-10-22)28(27(8-5-21-31)23-6-3-2-4-7-23)25-13-15-26(16-14-25)30-19-17-29-18-20-30;;/h2-4,6-7,9-16,29,31H,5,8,17-21H2,1H3;2*1H/b28-27-;;.
What are the key properties of (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride?
(Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride has a molecular weight of 485.50 g/mol, XLogP of 5.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride is sourced from PubChem (CID 155516697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).