[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol

C13H25NO3 — CID 55067295

IUPAC[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol
SMILESCCC1CN(CC2(CO)CCOCC2)CCO1
InChIInChI=1S/C13H25NO3/c1-2-12-9-14(5-8-17-12)10-13(11-15)3-6-16-7-4-13/h12,15H,2-11H2,1H3
InChIKeyVBTZKDYXFYHFGV-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.89
Rot. Bonds4

About [4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol

[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol (PubChem CID 55067295) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol
PubChem CID55067295
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol
SMILESCCC1CN(CC2(CO)CCOCC2)CCO1
InChIInChI=1S/C13H25NO3/c1-2-12-9-14(5-8-17-12)10-13(11-15)3-6-16-7-4-13/h12,15H,2-11H2,1H3
InChIKeyVBTZKDYXFYHFGV-UHFFFAOYSA-N
XLogP0.89
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol (CID 55067295) is [4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol is CCC1CN(CC2(CO)CCOCC2)CCO1.
What is the InChIKey of [4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol?
The InChIKey is VBTZKDYXFYHFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-12-9-14(5-8-17-12)10-13(11-15)3-6-16-7-4-13/h12,15H,2-11H2,1H3.
What are the key properties of [4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol?
[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol has a molecular weight of 243.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol is sourced from PubChem (CID 55067295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).