2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione

C15H18N2O3 — CID 102959641

IUPAC2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione
SMILESCC1CCN(CN2C(=O)c3ccccc3C2=O)CC1O
InChIInChI=1S/C15H18N2O3/c1-10-6-7-16(8-13(10)18)9-17-14(19)11-4-2-3-5-12(11)15(17)20/h2-5,10,13,18H,6-9H2,1H3
InChIKeyXVDAQIGGOHXNLW-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.94
Rot. Bonds2

About 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione

2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione (PubChem CID 102959641) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione
PubChem CID102959641
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione
SMILESCC1CCN(CN2C(=O)c3ccccc3C2=O)CC1O
InChIInChI=1S/C15H18N2O3/c1-10-6-7-16(8-13(10)18)9-17-14(19)11-4-2-3-5-12(11)15(17)20/h2-5,10,13,18H,6-9H2,1H3
InChIKeyXVDAQIGGOHXNLW-UHFFFAOYSA-N
XLogP0.94
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 79030827
2-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 79420634
2-[[(3S)-3-methylpiperazin-1-yl]methyl]isoindole-1,3-dione
CID 104976649
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 55030663
2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 62918343
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 78963607
2-[(3-aminopiperidin-1-yl)methyl]isoindole-1,3-dione
CID 55032217
1-[(1,3-dioxoisoindol-2-yl)methyl]piperidine-3-carbaldehyde
CID 62655657
2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione
CID 8557612
2-[(4-benzylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 674319
2-[(3-amino-5-methylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 79994387
2-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 9319960

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione (CID 102959641) is 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione is CC1CCN(CN2C(=O)c3ccccc3C2=O)CC1O.
What is the InChIKey of 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione?
The InChIKey is XVDAQIGGOHXNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-6-7-16(8-13(10)18)9-17-14(19)11-4-2-3-5-12(11)15(17)20/h2-5,10,13,18H,6-9H2,1H3.
What are the key properties of 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione?
2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione has a molecular weight of 274.32 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 102959641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).