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

C23H31N3O — CID 141349404

IUPAC(1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
SMILESO[C@H](C[C@H]1c2ccccc2-c2cncn21)C1CCN(C2CCCCC2)CC1
InChIInChI=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
InChIKeyXZAYHTSKQYBBFD-JTHBVZDNSA-N
MW365.52 g/mol
LogP4.25
Rot. Bonds4

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 CID141349404
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name(1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
SMILESO[C@H](C[C@H]1c2ccccc2-c2cncn21)C1CCN(C2CCCCC2)CC1
InChIInChI=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
InChIKeyXZAYHTSKQYBBFD-JTHBVZDNSA-N
XLogP4.25
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).