2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione

C22H24N2O4 — CID 3310729

IUPAC2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)CN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C22H24N2O4/c25-17(15-24-20(26)18-8-4-5-9-19(18)21(24)27)14-23-12-10-22(28,11-13-23)16-6-2-1-3-7-16/h1-9,17,25,28H,10-15H2
InChIKeyZNYBGCCVNSYELY-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.63
Rot. Bonds5

About 2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione

2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione (PubChem CID 3310729) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione
PubChem CID3310729
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)CN1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C22H24N2O4/c25-17(15-24-20(26)18-8-4-5-9-19(18)21(24)27)14-23-12-10-22(28,11-13-23)16-6-2-1-3-7-16/h1-9,17,25,28H,10-15H2
InChIKeyZNYBGCCVNSYELY-UHFFFAOYSA-N
XLogP1.63
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione (CID 3310729) is 2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(O)CN1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione?
The InChIKey is ZNYBGCCVNSYELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-17(15-24-20(26)18-8-4-5-9-19(18)21(24)27)14-23-12-10-22(28,11-13-23)16-6-2-1-3-7-16/h1-9,17,25,28H,10-15H2.
What are the key properties of 2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione?
2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione has a molecular weight of 380.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 3310729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).