5-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolidin-2-one

C11H20N2O2 — CID 91623571

IUPAC5-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1CN1CCC(O)CC1
InChIInChI=1S/C11H20N2O2/c1-12-9(2-3-11(12)15)8-13-6-4-10(14)5-7-13/h9-10,14H,2-8H2,1H3
InChIKeyAUDLZLPAPMTPBQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.06
Rot. Bonds2

About 5-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolidin-2-one

5-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolidin-2-one (PubChem CID 91623571) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolidin-2-one
PubChem CID91623571
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name5-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1CN1CCC(O)CC1
InChIInChI=1S/C11H20N2O2/c1-12-9(2-3-11(12)15)8-13-6-4-10(14)5-7-13/h9-10,14H,2-8H2,1H3
InChIKeyAUDLZLPAPMTPBQ-UHFFFAOYSA-N
XLogP0.06
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolidin-2-one (CID 91623571) is 5-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolidin-2-one is CN1C(=O)CCC1CN1CCC(O)CC1.
What is the InChIKey of 5-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolidin-2-one?
The InChIKey is AUDLZLPAPMTPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-9(2-3-11(12)15)8-13-6-4-10(14)5-7-13/h9-10,14H,2-8H2,1H3.
What are the key properties of 5-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolidin-2-one?
5-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxypiperidin-1-yl)methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 91623571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).