ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene

C28H43N3O2 — CID 145169302

About ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene

ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene (PubChem CID 145169302) has the molecular formula C28H43N3O2 and a molecular weight of 453.67 g/mol. Its IUPAC name is ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene.

Molecular Properties

• Compound Name: ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene
• PubChem CID: 145169302
• Molecular Formula: C28H43N3O2
• Molecular Weight: 453.67 g/mol
• Exact Mass: 453.34
• IUPAC Name: ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene
• SMILES: C=CC.CC.OC1CCC(N2CCC(C(O)CC3c4ccccc4-c4cncn43)CC2)CC1
• InChI: InChI=1S/C23H31N3O2.C3H6.C2H6/c27-18-7-5-17(6-8-18)25-11-9-16(10-12-25)23(28)13-21-19-3-1-2-4-20(19)22-14-24-15-26(21)22;1-3-2;1-2/h1-4,14-18,21,23,27-28H,5-13H2;3H,1H2,2H3;1-2H3
• InChIKey: FUXAIOZMEPRMGN-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 61.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.67
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene?

The IUPAC name of ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene (CID 145169302) is ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene.

What is the SMILES notation for ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene?

The canonical SMILES for ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene is C=CC.CC.OC1CCC(N2CCC(C(O)CC3c4ccccc4-c4cncn43)CC2)CC1.

What is the InChIKey of ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene?

The InChIKey is FUXAIOZMEPRMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2.C3H6.C2H6/c27-18-7-5-17(6-8-18)25-11-9-16(10-12-25)23(28)13-21-19-3-1-2-4-20(19)22-14-24-15-26(21)22;1-3-2;1-2/h1-4,14-18,21,23,27-28H,5-13H2;3H,1H2,2H3;1-2H3.

What are the key properties of ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene?

ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene has a molecular weight of 453.67 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]cyclohexan-1-ol;prop-1-ene is sourced from PubChem (CID 145169302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).