2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine

C13H24N2O2 — CID 116874155

IUPAC2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine
SMILESCN1CCC(C2(CC3CNCCO3)COC2)C1
InChIInChI=1S/C13H24N2O2/c1-15-4-2-11(8-15)13(9-16-10-13)6-12-7-14-3-5-17-12/h11-12,14H,2-10H2,1H3
InChIKeyVXYDNMKHKAWHME-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.33
Rot. Bonds3

About 2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine

2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine (PubChem CID 116874155) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine
PubChem CID116874155
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine
SMILESCN1CCC(C2(CC3CNCCO3)COC2)C1
InChIInChI=1S/C13H24N2O2/c1-15-4-2-11(8-15)13(9-16-10-13)6-12-7-14-3-5-17-12/h11-12,14H,2-10H2,1H3
InChIKeyVXYDNMKHKAWHME-UHFFFAOYSA-N
XLogP0.33
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine
CID 116870782
2-[(3-cyclobutyloxetan-3-yl)methyl]-1-methylpiperazine
CID 116874182
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-2-ylethanamine
CID 66426867
4-(1-methylpyrrolidin-3-yl)-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980702
2-[(4-methylpiperazin-1-yl)methyl]morpholine
CID 14627568
2-ethylmorpholine;1-methylpyrrolidine
CID 67235246
2-[2-(3-ethylpiperidin-1-yl)ethyl]morpholine
CID 66427069
2-methyl-2-(1-methylpyrrolidin-3-yl)-N-(2-morpholin-2-ylethyl)propan-1-amine
CID 115239317
2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 115414416
2-[2-(4-methylpiperidin-1-yl)ethyl]morpholine
CID 66428554
2-(morpholin-2-ylmethyl)morpholine
CID 18506039
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine
CID 63621251

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine?
The IUPAC name of 2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine (CID 116874155) is 2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine.
What is the SMILES notation for 2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine?
The canonical SMILES for 2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine is CN1CCC(C2(CC3CNCCO3)COC2)C1.
What is the InChIKey of 2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine?
The InChIKey is VXYDNMKHKAWHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15-4-2-11(8-15)13(9-16-10-13)6-12-7-14-3-5-17-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine?
2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine has a molecular weight of 240.35 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine is sourced from PubChem (CID 116874155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).