methyl 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzoate

C16H23NO3 — CID 82969504

IUPACmethyl 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzoate
SMILESCOC(=O)c1ccccc1CN1CC(C)OC(C)(C)C1
InChIInChI=1S/C16H23NO3/c1-12-9-17(11-16(2,3)20-12)10-13-7-5-6-8-14(13)15(18)19-4/h5-8,12H,9-11H2,1-4H3
InChIKeyRUHRJSAYRXPPRC-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.47
Rot. Bonds3

About methyl 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzoate

methyl 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzoate (PubChem CID 82969504) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzoate
PubChem CID82969504
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzoate
SMILESCOC(=O)c1ccccc1CN1CC(C)OC(C)(C)C1
InChIInChI=1S/C16H23NO3/c1-12-9-17(11-16(2,3)20-12)10-13-7-5-6-8-14(13)15(18)19-4/h5-8,12H,9-11H2,1-4H3
InChIKeyRUHRJSAYRXPPRC-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridine-2-carboxylic acid
CID 63074878
5-methoxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 82978872
methyl 2-[[(3S,4R)-3-hydroxy-4-methylpiperidin-1-yl]methyl]benzoate
CID 98870833
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
methyl 2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]benzoate
CID 115883276
5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-2-carbohydrazide
CID 63583647
methyl 2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoate
CID 82969270
methyl 2-[(3,3-diethylpyrrolidin-1-yl)methyl]benzoate
CID 82969445
methyl 2-(piperazin-1-ylmethyl)benzoate
CID 44829012
methyl 2-[(4-aminopiperidin-1-yl)methyl]benzoate;dihydrochloride
CID 53256226
methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
CID 82969171
methyl 2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
CID 82969020

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzoate?
The IUPAC name of methyl 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzoate (CID 82969504) is methyl 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzoate.
What is the SMILES notation for methyl 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzoate?
The canonical SMILES for methyl 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzoate is COC(=O)c1ccccc1CN1CC(C)OC(C)(C)C1.
What is the InChIKey of methyl 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzoate?
The InChIKey is RUHRJSAYRXPPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-9-17(11-16(2,3)20-12)10-13-7-5-6-8-14(13)15(18)19-4/h5-8,12H,9-11H2,1-4H3.
What are the key properties of methyl 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzoate?
methyl 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzoate has a molecular weight of 277.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzoate is sourced from PubChem (CID 82969504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).