1-[2-(3-hydroxypiperidin-1-yl)ethyl]pyridin-2-one

C12H18N2O2 — CID 78917361

IUPAC1-[2-(3-hydroxypiperidin-1-yl)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN1CCCC(O)C1
InChIInChI=1S/C12H18N2O2/c15-11-4-3-6-13(10-11)8-9-14-7-2-1-5-12(14)16/h1-2,5,7,11,15H,3-4,6,8-10H2
InChIKeyZTNBUUSPXGTHQQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.31
Rot. Bonds3

About 1-[2-(3-hydroxypiperidin-1-yl)ethyl]pyridin-2-one

1-[2-(3-hydroxypiperidin-1-yl)ethyl]pyridin-2-one (PubChem CID 78917361) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[2-(3-hydroxypiperidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-hydroxypiperidin-1-yl)ethyl]pyridin-2-one
PubChem CID78917361
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[2-(3-hydroxypiperidin-1-yl)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN1CCCC(O)C1
InChIInChI=1S/C12H18N2O2/c15-11-4-3-6-13(10-11)8-9-14-7-2-1-5-12(14)16/h1-2,5,7,11,15H,3-4,6,8-10H2
InChIKeyZTNBUUSPXGTHQQ-UHFFFAOYSA-N
XLogP0.31
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxypiperidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(3-hydroxypiperidin-1-yl)ethyl]pyridin-2-one (CID 78917361) is 1-[2-(3-hydroxypiperidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-hydroxypiperidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(3-hydroxypiperidin-1-yl)ethyl]pyridin-2-one is O=c1ccccn1CCN1CCCC(O)C1.
What is the InChIKey of 1-[2-(3-hydroxypiperidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is ZTNBUUSPXGTHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-11-4-3-6-13(10-11)8-9-14-7-2-1-5-12(14)16/h1-2,5,7,11,15H,3-4,6,8-10H2.
What are the key properties of 1-[2-(3-hydroxypiperidin-1-yl)ethyl]pyridin-2-one?
1-[2-(3-hydroxypiperidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxypiperidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 78917361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).