4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine

C13H26N2O2 — CID 107385569

IUPAC4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine
SMILESCCN1CCOC(COC2(C)CCCNC2)C1
InChIInChI=1S/C13H26N2O2/c1-3-15-7-8-16-12(9-15)10-17-13(2)5-4-6-14-11-13/h12,14H,3-11H2,1-2H3
InChIKeyGAFOMKCDVOZJQN-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.87
Rot. Bonds4

About 4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine

4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine (PubChem CID 107385569) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine.

Molecular Properties

Compound Name4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine
PubChem CID107385569
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine
SMILESCCN1CCOC(COC2(C)CCCNC2)C1
InChIInChI=1S/C13H26N2O2/c1-3-15-7-8-16-12(9-15)10-17-13(2)5-4-6-14-11-13/h12,14H,3-11H2,1-2H3
InChIKeyGAFOMKCDVOZJQN-UHFFFAOYSA-N
XLogP0.87
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine?
The IUPAC name of 4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine (CID 107385569) is 4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine.
What is the SMILES notation for 4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine?
The canonical SMILES for 4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine is CCN1CCOC(COC2(C)CCCNC2)C1.
What is the InChIKey of 4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine?
The InChIKey is GAFOMKCDVOZJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-15-7-8-16-12(9-15)10-17-13(2)5-4-6-14-11-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine?
4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine has a molecular weight of 242.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(3-methylpiperidin-3-yl)oxymethyl]morpholine is sourced from PubChem (CID 107385569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).