5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione

C14H16N2O3 — CID 175936887

IUPAC5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(N3CCC(CO)CC3)ccc21
InChIInChI=1S/C14H16N2O3/c17-8-9-3-5-16(6-4-9)10-1-2-11-12(7-10)14(19)15-13(11)18/h1-2,7,9,17H,3-6,8H2,(H,15,18,19)
InChIKeyGPNDABNLDWVYAT-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.78
Rot. Bonds2

About 5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione

5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione (PubChem CID 175936887) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione
PubChem CID175936887
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(N3CCC(CO)CC3)ccc21
InChIInChI=1S/C14H16N2O3/c17-8-9-3-5-16(6-4-9)10-1-2-11-12(7-10)14(19)15-13(11)18/h1-2,7,9,17H,3-6,8H2,(H,15,18,19)
InChIKeyGPNDABNLDWVYAT-UHFFFAOYSA-N
XLogP0.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 60990150
4-[4-(hydroxymethyl)piperidin-1-yl]-2-methylbenzoic acid
CID 113400000
[1-(3-chloro-4-nitrophenyl)piperidin-4-yl]methanol
CID 167440016
2-(2,6-dioxopiperidin-3-yl)-5-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]isoindole-1,3-dione
CID 146485030
[1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol
CID 117027951
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone
CID 113423185
[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]methanol
CID 47281098
[1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol
CID 126696055
2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-(hydroxymethyl)azetidin-1-yl]piperidin-1-yl]isoindole-1,3-dione
CID 156866954
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 115499065
[1-(3-ethoxy-4-nitrophenyl)piperidin-4-yl]methanol
CID 63677507

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione?
The IUPAC name of 5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione (CID 175936887) is 5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione?
The canonical SMILES for 5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione is O=C1NC(=O)c2cc(N3CCC(CO)CC3)ccc21.
What is the InChIKey of 5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione?
The InChIKey is GPNDABNLDWVYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-8-9-3-5-16(6-4-9)10-1-2-11-12(7-10)14(19)15-13(11)18/h1-2,7,9,17H,3-6,8H2,(H,15,18,19).
What are the key properties of 5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione?
5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione has a molecular weight of 260.29 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)piperidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 175936887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).