2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde

C32H36N2O2 — CID 164923450

About 2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde

2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde (PubChem CID 164923450) has the molecular formula C32H36N2O2 and a molecular weight of 480.65 g/mol. Its IUPAC name is 2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde.

Molecular Properties

• Compound Name: 2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde
• PubChem CID: 164923450
• Molecular Formula: C32H36N2O2
• Molecular Weight: 480.65 g/mol
• Exact Mass: 480.28
• IUPAC Name: 2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde
• SMILES: O=CCN1CCC2(CCN(c3ccc(C4c5ccc(O)cc5CCC4c4ccccc4)cc3)CC2)C1
• InChI: InChI=1S/C32H36N2O2/c35-21-20-33-17-14-32(23-33)15-18-34(19-16-32)27-9-6-25(7-10-27)31-29(24-4-2-1-3-5-24)12-8-26-22-28(36)11-13-30(26)31/h1-7,9-11,13,21-22,29,31,36H,8,12,14-20,23H2
• InChIKey: OSYAGGCZXXQEQS-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 43.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.65
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde?

The IUPAC name of 2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde (CID 164923450) is 2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde.

What is the SMILES notation for 2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde?

The canonical SMILES for 2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde is O=CCN1CCC2(CCN(c3ccc(C4c5ccc(O)cc5CCC4c4ccccc4)cc3)CC2)C1.

What is the InChIKey of 2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde?

The InChIKey is OSYAGGCZXXQEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O2/c35-21-20-33-17-14-32(23-33)15-18-34(19-16-32)27-9-6-25(7-10-27)31-29(24-4-2-1-3-5-24)12-8-26-22-28(36)11-13-30(26)31/h1-7,9-11,13,21-22,29,31,36H,8,12,14-20,23H2.

What are the key properties of 2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde?

2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde has a molecular weight of 480.65 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde is sourced from PubChem (CID 164923450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).