1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone

C13H23NO3 — CID 114501566

IUPAC1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone
SMILESCC1CN(C(=O)CC2CCCCO2)CCC1O
InChIInChI=1S/C13H23NO3/c1-10-9-14(6-5-12(10)15)13(16)8-11-4-2-3-7-17-11/h10-12,15H,2-9H2,1H3
InChIKeyWZPUWTMNCSUXRL-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.17
Rot. Bonds2

About 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone

1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone (PubChem CID 114501566) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone
PubChem CID114501566
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone
SMILESCC1CN(C(=O)CC2CCCCO2)CCC1O
InChIInChI=1S/C13H23NO3/c1-10-9-14(6-5-12(10)15)13(16)8-11-4-2-3-7-17-11/h10-12,15H,2-9H2,1H3
InChIKeyWZPUWTMNCSUXRL-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone (CID 114501566) is 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone is CC1CN(C(=O)CC2CCCCO2)CCC1O.
What is the InChIKey of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone?
The InChIKey is WZPUWTMNCSUXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-9-14(6-5-12(10)15)13(16)8-11-4-2-3-7-17-11/h10-12,15H,2-9H2,1H3.
What are the key properties of 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone?
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone has a molecular weight of 241.33 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(oxan-2-yl)ethanone is sourced from PubChem (CID 114501566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).