4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride

C30H38Cl2N2O2 — CID 162672342

About 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride

4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride (PubChem CID 162672342) has the molecular formula C30H38Cl2N2O2 and a molecular weight of 529.55 g/mol. Its IUPAC name is 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride.

Molecular Properties

• Compound Name: 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride
• PubChem CID: 162672342
• Molecular Formula: C30H38Cl2N2O2
• Molecular Weight: 529.55 g/mol
• Exact Mass: 528.23
• IUPAC Name: 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride
• SMILES: Cl.Cl.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(NCCN2CCCCC2)cc1)c1ccccc1
• InChI: InChI=1S/C30H36N2O2.2ClH/c33-23-7-10-29(24-8-3-1-4-9-24)30(26-13-17-28(34)18-14-26)25-11-15-27(16-12-25)31-19-22-32-20-5-2-6-21-32;;/h1,3-4,8-9,11-18,31,33-34H,2,5-7,10,19-23H2;2*1H/b30-29+
• InChIKey: SYISRFOCORFOJD-NFOZGECASA-N
• XLogP: 6.87
• TPSA: 55.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.55
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride?

The IUPAC name of 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride (CID 162672342) is 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride.

What is the SMILES notation for 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride?

The canonical SMILES for 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride is Cl.Cl.OCCC/C(=C(\c1ccc(O)cc1)c1ccc(NCCN2CCCCC2)cc1)c1ccccc1.

What is the InChIKey of 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride?

The InChIKey is SYISRFOCORFOJD-NFOZGECASA-N. The full InChI is InChI=1S/C30H36N2O2.2ClH/c33-23-7-10-29(24-8-3-1-4-9-24)30(26-13-17-28(34)18-14-26)25-11-15-27(16-12-25)31-19-22-32-20-5-2-6-21-32;;/h1,3-4,8-9,11-18,31,33-34H,2,5-7,10,19-23H2;2*1H/b30-29+;;.

What are the key properties of 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride?

4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride has a molecular weight of 529.55 g/mol, XLogP of 6.87, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-5-hydroxy-2-phenyl-1-[4-(2-piperidin-1-ylethylamino)phenyl]pent-1-enyl]phenol;dihydrochloride is sourced from PubChem (CID 162672342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).