6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one

C12H18N2O2 — CID 46187187

IUPAC6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one
SMILESCN1C[C@@H](CO)C[C@@H](c2cccc(=O)[nH]2)C1
InChIInChI=1S/C12H18N2O2/c1-14-6-9(8-15)5-10(7-14)11-3-2-4-12(16)13-11/h2-4,9-10,15H,5-8H2,1H3,(H,13,16)/t9-,10+/m0/s1
InChIKeyCUHBAHMWNDOHGZ-VHSXEESVSA-N
MW222.29 g/mol
LogP0.40
Rot. Bonds2

About 6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one

6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one (PubChem CID 46187187) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one
PubChem CID46187187
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one
SMILESCN1C[C@@H](CO)C[C@@H](c2cccc(=O)[nH]2)C1
InChIInChI=1S/C12H18N2O2/c1-14-6-9(8-15)5-10(7-14)11-3-2-4-12(16)13-11/h2-4,9-10,15H,5-8H2,1H3,(H,13,16)/t9-,10+/m0/s1
InChIKeyCUHBAHMWNDOHGZ-VHSXEESVSA-N
XLogP0.40
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one (CID 46187187) is 6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one is CN1C[C@@H](CO)C[C@@H](c2cccc(=O)[nH]2)C1.
What is the InChIKey of 6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one?
The InChIKey is CUHBAHMWNDOHGZ-VHSXEESVSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-6-9(8-15)5-10(7-14)11-3-2-4-12(16)13-11/h2-4,9-10,15H,5-8H2,1H3,(H,13,16)/t9-,10+/m0/s1.
What are the key properties of 6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one?
6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,5S)-5-(hydroxymethyl)-1-methylpiperidin-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 46187187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).