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

C28H35Cl2N3O — CID 155518873

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

(Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride (PubChem CID 155518873) has the molecular formula C28H35Cl2N3O and a molecular weight of 500.51 g/mol. Its IUPAC name is (Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride.

Molecular Properties

• Compound Name: (Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride
• PubChem CID: 155518873
• Molecular Formula: C28H35Cl2N3O
• Molecular Weight: 500.51 g/mol
• Exact Mass: 499.22
• IUPAC Name: (Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride
• SMILES: CN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)cc2)CC1.Cl.Cl
• InChI: InChI=1S/C28H33N3O.2ClH/c1-30-17-19-31(20-18-30)26-15-11-24(12-16-26)28(23-9-13-25(29)14-10-23)27(8-5-21-32)22-6-3-2-4-7-22;;/h2-4,6-7,9-16,32H,5,8,17-21,29H2,1H3;2*1H/b28-27-
• InChIKey: MVDDOTYYMJARGZ-XRKMDJMPSA-N
• XLogP: 5.60
• TPSA: 52.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.51
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride?

The IUPAC name of (Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride (CID 155518873) is (Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride.

What is the SMILES notation for (Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride?

The canonical SMILES for (Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride is CN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)cc2)CC1.Cl.Cl.

What is the InChIKey of (Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride?

The InChIKey is MVDDOTYYMJARGZ-XRKMDJMPSA-N. The full InChI is InChI=1S/C28H33N3O.2ClH/c1-30-17-19-31(20-18-30)26-15-11-24(12-16-26)28(23-9-13-25(29)14-10-23)27(8-5-21-32)22-6-3-2-4-7-22;;/h2-4,6-7,9-16,32H,5,8,17-21,29H2,1H3;2*1H/b28-27-;;.

What are the key properties of (Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride?

(Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride has a molecular weight of 500.51 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride is sourced from PubChem (CID 155518873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).