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

C13H20N2O2 — CID 113343955

IUPAC1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one
SMILESCC1(O)CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C13H20N2O2/c1-13(17)6-4-7-14(11-13)9-10-15-8-3-2-5-12(15)16/h2-3,5,8,17H,4,6-7,9-11H2,1H3
InChIKeyCFJCKGZZTUBJAD-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.70
Rot. Bonds3

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

1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one (PubChem CID 113343955) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one
PubChem CID113343955
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one
SMILESCC1(O)CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C13H20N2O2/c1-13(17)6-4-7-14(11-13)9-10-15-8-3-2-5-12(15)16/h2-3,5,8,17H,4,6-7,9-11H2,1H3
InChIKeyCFJCKGZZTUBJAD-UHFFFAOYSA-N
XLogP0.70
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

1-(3-{3-[(dimethylamino)methyl]-3-hydroxy-1-piperidinyl}-3-oxopropyl)-2(1H)-pyridinone
CID 56893462
1-[2-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 56803127
1-[2-[4-(Hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 78917348
1-[2-(3-Hydroxypiperidin-1-yl)ethyl]pyridin-2-one
CID 78917361
1-[2-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 78925016
1-[2-(4-Hydroxy-4-methylpiperidin-1-yl)ethyl]pyridin-2-one
CID 80702846
1-[2-[(2-Hydroxy-2,4-dimethylpentyl)amino]ethyl]pyridin-2-one
CID 82897765
1-[2-(3-Hydroxy-3-propylazetidin-1-yl)ethyl]pyridin-2-one
CID 82907420
1-[3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95716900
1-[3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95716901
4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 103878864
1-(3-Hydroxy-3-methylpiperidin-1-yl)hexa-2,4-dien-1-one
CID 103878867

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one (CID 113343955) is 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one is CC1(O)CCCN(CCn2ccccc2=O)C1.
What is the InChIKey of 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is CFJCKGZZTUBJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(17)6-4-7-14(11-13)9-10-15-8-3-2-5-12(15)16/h2-3,5,8,17H,4,6-7,9-11H2,1H3.
What are the key properties of 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one?
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 236.31 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 113343955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).