2-morpholin-4-ylethyl benzoate

C13H17NO3 — CID 790146

IUPAC2-morpholin-4-ylethyl benzoate
SMILESO=C(OCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C13H17NO3/c15-13(12-4-2-1-3-5-12)17-11-8-14-6-9-16-10-7-14/h1-5H,6-11H2
InChIKeyVUESXCBIGBIIDD-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.18
Rot. Bonds4

About 2-morpholin-4-ylethyl benzoate

2-morpholin-4-ylethyl benzoate (PubChem CID 790146) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl benzoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl benzoate
PubChem CID790146
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-morpholin-4-ylethyl benzoate
SMILESO=C(OCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C13H17NO3/c15-13(12-4-2-1-3-5-12)17-11-8-14-6-9-16-10-7-14/h1-5H,6-11H2
InChIKeyVUESXCBIGBIIDD-UHFFFAOYSA-N
XLogP1.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Hexylcaine
CID 10770
Amylocaine
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Meprylcaine
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1-Propanol, 2-methyl-2-(propylamino)-, 1-benzoate, hydrochloride (1:1)
CID 101925
8-Azabicyclo(3.2.1)octan-3-ol, 8-methyl-, benzoate (ester), endo-
CID 637578
Benzoclidine
CID 65630
Amyleine hydrochloride
CID 10766
Piperocaine
CID 10782
Piperocaine Hydrochloride
CID 10781
Benzoylcholine chloride
CID 76298
Tetraethylammonium benzoate
CID 85637
Amydricaine
CID 12428

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl benzoate?
The IUPAC name of 2-morpholin-4-ylethyl benzoate (CID 790146) is 2-morpholin-4-ylethyl benzoate.
What is the SMILES notation for 2-morpholin-4-ylethyl benzoate?
The canonical SMILES for 2-morpholin-4-ylethyl benzoate is O=C(OCCN1CCOCC1)c1ccccc1.
What is the InChIKey of 2-morpholin-4-ylethyl benzoate?
The InChIKey is VUESXCBIGBIIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(12-4-2-1-3-5-12)17-11-8-14-6-9-16-10-7-14/h1-5H,6-11H2.
What are the key properties of 2-morpholin-4-ylethyl benzoate?
2-morpholin-4-ylethyl benzoate has a molecular weight of 235.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl benzoate is sourced from PubChem (CID 790146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).