1-methylpiperidin-4-ol;1-methylpyrrolidine-2,5-dione

C11H20N2O3 — CID 143206094

IUPAC1-methylpiperidin-4-ol;1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CCC1=O.CN1CCC(O)CC1
InChIInChI=1S/C6H13NO.C5H7NO2/c1-7-4-2-6(8)3-5-7;1-6-4(7)2-3-5(6)8/h6,8H,2-5H2,1H3;2-3H2,1H3
InChIKeyLHVRZQUTBNSIJA-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.16
Rot. Bonds

About 1-methylpiperidin-4-ol;1-methylpyrrolidine-2,5-dione

1-methylpiperidin-4-ol;1-methylpyrrolidine-2,5-dione (PubChem CID 143206094) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-methylpiperidin-4-ol;1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methylpiperidin-4-ol;1-methylpyrrolidine-2,5-dione
PubChem CID143206094
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-methylpiperidin-4-ol;1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CCC1=O.CN1CCC(O)CC1
InChIInChI=1S/C6H13NO.C5H7NO2/c1-7-4-2-6(8)3-5-7;1-6-4(7)2-3-5(6)8/h6,8H,2-5H2,1H3;2-3H2,1H3
InChIKeyLHVRZQUTBNSIJA-UHFFFAOYSA-N
XLogP-0.16
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-4-ol;1-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-methylpiperidin-4-ol;1-methylpyrrolidine-2,5-dione (CID 143206094) is 1-methylpiperidin-4-ol;1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-methylpiperidin-4-ol;1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-methylpiperidin-4-ol;1-methylpyrrolidine-2,5-dione is CN1C(=O)CCC1=O.CN1CCC(O)CC1.
What is the InChIKey of 1-methylpiperidin-4-ol;1-methylpyrrolidine-2,5-dione?
The InChIKey is LHVRZQUTBNSIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C5H7NO2/c1-7-4-2-6(8)3-5-7;1-6-4(7)2-3-5(6)8/h6,8H,2-5H2,1H3;2-3H2,1H3.
What are the key properties of 1-methylpiperidin-4-ol;1-methylpyrrolidine-2,5-dione?
1-methylpiperidin-4-ol;1-methylpyrrolidine-2,5-dione has a molecular weight of 228.29 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-4-ol;1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 143206094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).