methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate

C15H21NO3 — CID 134007278

IUPACmethyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate
SMILESCOC(=O)c1cccc(CN2CC(C)OCC2C)c1
InChIInChI=1S/C15H21NO3/c1-11-10-19-12(2)8-16(11)9-13-5-4-6-14(7-13)15(17)18-3/h4-7,11-12H,8-10H2,1-3H3
InChIKeyCCWCNCFENBQKNI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.08
Rot. Bonds3

About methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate

methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate (PubChem CID 134007278) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate
PubChem CID134007278
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate
SMILESCOC(=O)c1cccc(CN2CC(C)OCC2C)c1
InChIInChI=1S/C15H21NO3/c1-11-10-19-12(2)8-16(11)9-13-5-4-6-14(7-13)15(17)18-3/h4-7,11-12H,8-10H2,1-3H3
InChIKeyCCWCNCFENBQKNI-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027103
methyl 3-[[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate
CID 82358789
methyl 3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62734235
2-(2,5-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanone
CID 43796502
5-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65339637
methyl 3-[(2-propylpiperazin-1-yl)methyl]benzoate
CID 75088533
2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol
CID 82977068
methyl 4-[(2R)-3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 124743616
2,5-dimethyl-4-[(3-morpholin-4-ylsulfonylphenyl)methyl]morpholine
CID 42955058
methyl 4-[3-(2,5-dimethylmorpholin-4-yl)-2-hydroxypropoxy]benzoate
CID 47025128
methyl 4-[(2R)-3-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-hydroxypropoxy]benzoate
CID 124743615
methyl 3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62062528

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate?
The IUPAC name of methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate (CID 134007278) is methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate.
What is the SMILES notation for methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate?
The canonical SMILES for methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate is COC(=O)c1cccc(CN2CC(C)OCC2C)c1.
What is the InChIKey of methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate?
The InChIKey is CCWCNCFENBQKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-10-19-12(2)8-16(11)9-13-5-4-6-14(7-13)15(17)18-3/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate?
methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate has a molecular weight of 263.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,5-dimethylmorpholin-4-yl)methyl]benzoate is sourced from PubChem (CID 134007278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).