1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one

C13H20N2O2 — CID 78917330

IUPAC1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN1CCCCC1CO
InChIInChI=1S/C13H20N2O2/c16-11-12-5-1-3-7-14(12)9-10-15-8-4-2-6-13(15)17/h2,4,6,8,12,16H,1,3,5,7,9-11H2
InChIKeyLBNSGSDSGYSHEY-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.70
Rot. Bonds4

About 1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one

1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one (PubChem CID 78917330) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
PubChem CID78917330
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN1CCCCC1CO
InChIInChI=1S/C13H20N2O2/c16-11-12-5-1-3-7-14(12)9-10-15-8-4-2-6-13(15)17/h2,4,6,8,12,16H,1,3,5,7,9-11H2
InChIKeyLBNSGSDSGYSHEY-UHFFFAOYSA-N
XLogP0.70
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one (CID 78917330) is 1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one is O=c1ccccn1CCN1CCCCC1CO.
What is the InChIKey of 1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is LBNSGSDSGYSHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-11-12-5-1-3-7-14(12)9-10-15-8-4-2-6-13(15)17/h2,4,6,8,12,16H,1,3,5,7,9-11H2.
What are the key properties of 1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one?
1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 236.31 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 78917330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).