[4-(morpholin-4-ylmethyl)oxan-4-yl] acetate

C12H21NO4 — CID 90440424

IUPAC[4-(morpholin-4-ylmethyl)oxan-4-yl] acetate
SMILESCC(=O)OC1(CN2CCOCC2)CCOCC1
InChIInChI=1S/C12H21NO4/c1-11(14)17-12(2-6-15-7-3-12)10-13-4-8-16-9-5-13/h2-10H2,1H3
InChIKeyPYUADFXAJXXZON-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.43
Rot. Bonds3

About [4-(morpholin-4-ylmethyl)oxan-4-yl] acetate

[4-(morpholin-4-ylmethyl)oxan-4-yl] acetate (PubChem CID 90440424) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is [4-(morpholin-4-ylmethyl)oxan-4-yl] acetate.

Molecular Properties

Compound Name[4-(morpholin-4-ylmethyl)oxan-4-yl] acetate
PubChem CID90440424
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name[4-(morpholin-4-ylmethyl)oxan-4-yl] acetate
SMILESCC(=O)OC1(CN2CCOCC2)CCOCC1
InChIInChI=1S/C12H21NO4/c1-11(14)17-12(2-6-15-7-3-12)10-13-4-8-16-9-5-13/h2-10H2,1H3
InChIKeyPYUADFXAJXXZON-UHFFFAOYSA-N
XLogP0.43
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-morpholin-4-ylethyl)cyclopentyl] acetate
CID 91522292
[4-(piperidin-1-ylmethyl)oxan-4-yl] 2,2-dimethylpropanoate
CID 90437699
(4-acetyloxyoxan-4-yl)methyl acetate
CID 909733
1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid
CID 68756904
ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate
CID 68758464
[dimethyl(morpholin-4-ylmethyl)silyl] acetate
CID 69426316
[(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 124998464
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
(4-ethyl-2-oxooxan-4-yl) acetate
CID 89198151
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)oxan-4-yl]propan-1-one
CID 90437703
ethyl acetate;4-propylmorpholine
CID 160534633

Frequently Asked Questions

What is the IUPAC name of [4-(morpholin-4-ylmethyl)oxan-4-yl] acetate?
The IUPAC name of [4-(morpholin-4-ylmethyl)oxan-4-yl] acetate (CID 90440424) is [4-(morpholin-4-ylmethyl)oxan-4-yl] acetate.
What is the SMILES notation for [4-(morpholin-4-ylmethyl)oxan-4-yl] acetate?
The canonical SMILES for [4-(morpholin-4-ylmethyl)oxan-4-yl] acetate is CC(=O)OC1(CN2CCOCC2)CCOCC1.
What is the InChIKey of [4-(morpholin-4-ylmethyl)oxan-4-yl] acetate?
The InChIKey is PYUADFXAJXXZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-11(14)17-12(2-6-15-7-3-12)10-13-4-8-16-9-5-13/h2-10H2,1H3.
What are the key properties of [4-(morpholin-4-ylmethyl)oxan-4-yl] acetate?
[4-(morpholin-4-ylmethyl)oxan-4-yl] acetate has a molecular weight of 243.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(morpholin-4-ylmethyl)oxan-4-yl] acetate is sourced from PubChem (CID 90440424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).