methyl 4-(morpholin-4-ylmethyl)benzoate

C13H17NO3 — CID 10466592

IUPACmethyl 4-(morpholin-4-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C13H17NO3/c1-16-13(15)12-4-2-11(3-5-12)10-14-6-8-17-9-7-14/h2-5H,6-10H2,1H3
InChIKeyJENXYLLXQAOUJO-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.31
Rot. Bonds3

About methyl 4-(morpholin-4-ylmethyl)benzoate

methyl 4-(morpholin-4-ylmethyl)benzoate (PubChem CID 10466592) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 4-(morpholin-4-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(morpholin-4-ylmethyl)benzoate
PubChem CID10466592
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 4-(morpholin-4-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C13H17NO3/c1-16-13(15)12-4-2-11(3-5-12)10-14-6-8-17-9-7-14/h2-5H,6-10H2,1H3
InChIKeyJENXYLLXQAOUJO-UHFFFAOYSA-N
XLogP1.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 5-[[4-(morpholin-4-ylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 9045335
methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
methyl 4-[(E)-4-[4-(morpholin-4-ylmethyl)phenyl]but-1-en-3-ynyl]benzoate
CID 59416999
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
methyl 4-(thiomorpholin-4-ylmethyl)benzoate
CID 10106210
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate
CID 18710298
CID 59303659
CID 59303659
methyl 4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]benzoate
CID 8690662
ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
CID 89048082
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768690

Frequently Asked Questions

What is the IUPAC name of methyl 4-(morpholin-4-ylmethyl)benzoate?
The IUPAC name of methyl 4-(morpholin-4-ylmethyl)benzoate (CID 10466592) is methyl 4-(morpholin-4-ylmethyl)benzoate.
What is the SMILES notation for methyl 4-(morpholin-4-ylmethyl)benzoate?
The canonical SMILES for methyl 4-(morpholin-4-ylmethyl)benzoate is COC(=O)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of methyl 4-(morpholin-4-ylmethyl)benzoate?
The InChIKey is JENXYLLXQAOUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-13(15)12-4-2-11(3-5-12)10-14-6-8-17-9-7-14/h2-5H,6-10H2,1H3.
What are the key properties of methyl 4-(morpholin-4-ylmethyl)benzoate?
methyl 4-(morpholin-4-ylmethyl)benzoate has a molecular weight of 235.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(morpholin-4-ylmethyl)benzoate is sourced from PubChem (CID 10466592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).