(1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol

C23H31N3O — CID 141349404

About (1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol

(1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol (PubChem CID 141349404) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is (1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol.

Molecular Properties

• Compound Name: (1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
• PubChem CID: 141349404
• Molecular Formula: C23H31N3O
• Molecular Weight: 365.52 g/mol
• Exact Mass: 365.25
• IUPAC Name: (1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
• SMILES: O[C@H](C[C@H]1c2ccccc2-c2cncn21)C1CCN(C2CCCCC2)CC1
• InChI: InChI=1S/C23H31N3O/c27-23(17-10-12-25(13-11-17)18-6-2-1-3-7-18)14-21-19-8-4-5-9-20(19)22-15-24-16-26(21)22/h4-5,8-9,15-18,21,23,27H,1-3,6-7,10-14H2/t21-,23+/m0/s1
• InChIKey: XZAYHTSKQYBBFD-JTHBVZDNSA-N
• XLogP: 4.25
• TPSA: 41.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.52
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol?

The IUPAC name of (1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol (CID 141349404) is (1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol.

What is the SMILES notation for (1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol?

The canonical SMILES for (1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol is O[C@H](C[C@H]1c2ccccc2-c2cncn21)C1CCN(C2CCCCC2)CC1.

What is the InChIKey of (1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol?

The InChIKey is XZAYHTSKQYBBFD-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H31N3O/c27-23(17-10-12-25(13-11-17)18-6-2-1-3-7-18)14-21-19-8-4-5-9-20(19)22-15-24-16-26(21)22/h4-5,8-9,15-18,21,23,27H,1-3,6-7,10-14H2/t21-,23+/m0/s1.

What are the key properties of (1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol?

(1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol has a molecular weight of 365.52 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol is sourced from PubChem (CID 141349404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).