2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol

C13H22N2O4 — CID 82691821

IUPAC2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol
SMILESCOCc1cc(CN2CCC(OCCO)CC2)no1
InChIInChI=1S/C13H22N2O4/c1-17-10-13-8-11(14-19-13)9-15-4-2-12(3-5-15)18-7-6-16/h8,12,16H,2-7,9-10H2,1H3
InChIKeyNYHRDENKXKSUDE-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.79
Rot. Bonds7

About 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol

2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol (PubChem CID 82691821) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol
PubChem CID82691821
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol
SMILESCOCc1cc(CN2CCC(OCCO)CC2)no1
InChIInChI=1S/C13H22N2O4/c1-17-10-13-8-11(14-19-13)9-15-4-2-12(3-5-15)18-7-6-16/h8,12,16H,2-7,9-10H2,1H3
InChIKeyNYHRDENKXKSUDE-UHFFFAOYSA-N
XLogP0.79
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol (CID 82691821) is 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol is COCc1cc(CN2CCC(OCCO)CC2)no1.
What is the InChIKey of 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol?
The InChIKey is NYHRDENKXKSUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-17-10-13-8-11(14-19-13)9-15-4-2-12(3-5-15)18-7-6-16/h8,12,16H,2-7,9-10H2,1H3.
What are the key properties of 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol?
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol has a molecular weight of 270.33 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82691821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).