(Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;dihydrochloride

C30H38Cl2N2O — CID 155565459

IUPAC(Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;dihydrochloride
SMILESCCN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(C)cc3)cc2)CC1.Cl.Cl
InChIInChI=1S/C30H36N2O.2ClH/c1-3-31-19-21-32(22-20-31)28-17-15-27(16-18-28)30(26-13-11-24(2)12-14-26)29(10-7-23-33)25-8-5-4-6-9-25;;/h4-6,8-9,11-18,33H,3,7,10,19-23H2,1-2H3;2*1H/b30-29-;;
InChIKeyLNTHOAIOHNFYBD-JYOLQUMFSA-N
MW513.55 g/mol
LogP6.71
Rot. Bonds8

About (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;dihydrochloride

(Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;dihydrochloride (PubChem CID 155565459) has the molecular formula C30H38Cl2N2O and a molecular weight of 513.55 g/mol. Its IUPAC name is (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;dihydrochloride.

Molecular Properties

Compound Name(Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;dihydrochloride
PubChem CID155565459
Molecular FormulaC30H38Cl2N2O
Molecular Weight513.55 g/mol
Exact Mass512.24
IUPAC Name(Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;dihydrochloride
SMILESCCN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(C)cc3)cc2)CC1.Cl.Cl
InChIInChI=1S/C30H36N2O.2ClH/c1-3-31-19-21-32(22-20-31)28-17-15-27(16-18-28)30(26-13-11-24(2)12-14-26)29(10-7-23-33)25-8-5-4-6-9-25;;/h4-6,8-9,11-18,33H,3,7,10,19-23H2,1-2H3;2*1H/b30-29-;;
InChIKeyLNTHOAIOHNFYBD-JYOLQUMFSA-N
XLogP6.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.55
LogP ≤ 56.71
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': 'stilbene', 'substructure': 'N/A'}

Analyze (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-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-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;dihydrochloride?
The IUPAC name of (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;dihydrochloride (CID 155565459) is (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;dihydrochloride.
What is the SMILES notation for (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;dihydrochloride?
The canonical SMILES for (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;dihydrochloride is CCN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(C)cc3)cc2)CC1.Cl.Cl.
What is the InChIKey of (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;dihydrochloride?
The InChIKey is LNTHOAIOHNFYBD-JYOLQUMFSA-N. The full InChI is InChI=1S/C30H36N2O.2ClH/c1-3-31-19-21-32(22-20-31)28-17-15-27(16-18-28)30(26-13-11-24(2)12-14-26)29(10-7-23-33)25-8-5-4-6-9-25;;/h4-6,8-9,11-18,33H,3,7,10,19-23H2,1-2H3;2*1H/b30-29-;;.
What are the key properties of (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;dihydrochloride?
(Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;dihydrochloride has a molecular weight of 513.55 g/mol, XLogP of 6.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[4-(4-ethylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)-4-phenylpent-4-en-1-ol;dihydrochloride is sourced from PubChem (CID 155565459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).