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

C13H20N2O2 — CID 78998597

IUPAC1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN1CCCC(CO)C1
InChIInChI=1S/C13H20N2O2/c16-11-12-4-3-6-14(10-12)8-9-15-7-2-1-5-13(15)17/h1-2,5,7,12,16H,3-4,6,8-11H2
InChIKeyDHPYPQYKUGBWQX-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.55
Rot. Bonds4

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

1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one (PubChem CID 78998597) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
PubChem CID78998597
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN1CCCC(CO)C1
InChIInChI=1S/C13H20N2O2/c16-11-12-4-3-6-14(10-12)8-9-15-7-2-1-5-13(15)17/h1-2,5,7,12,16H,3-4,6,8-11H2
InChIKeyDHPYPQYKUGBWQX-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one (CID 78998597) is 1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one is O=c1ccccn1CCN1CCCC(CO)C1.
What is the InChIKey of 1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is DHPYPQYKUGBWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-11-12-4-3-6-14(10-12)8-9-15-7-2-1-5-13(15)17/h1-2,5,7,12,16H,3-4,6,8-11H2.
What are the key properties of 1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one?
1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 236.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 78998597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).