1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

C16H21NO5 — CID 654982

IUPAC1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
SMILESCC(CN1CCOCC1)OC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H21NO5/c1-12(11-17-4-6-19-7-5-17)22-16(18)13-2-3-14-15(10-13)21-9-8-20-14/h2-3,10,12H,4-9,11H2,1H3
InChIKeyMZYBNTSSRLEWOW-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.34
Rot. Bonds4

About 1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate (PubChem CID 654982) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
PubChem CID654982
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
SMILESCC(CN1CCOCC1)OC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H21NO5/c1-12(11-17-4-6-19-7-5-17)22-16(18)13-2-3-14-15(10-13)21-9-8-20-14/h2-3,10,12H,4-9,11H2,1H3
InChIKeyMZYBNTSSRLEWOW-UHFFFAOYSA-N
XLogP1.34
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-piperidin-1-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate;hydrochloride
CID 2911466
[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
CID 844363
1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
CID 53312685
1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
CID 3151287
[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
CID 807409
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate
CID 2913104
1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
CID 123332358
1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate
CID 84600441
[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 844388
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 731793
ethyl 2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-9-carboxylate
CID 138479505

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate (CID 654982) is 1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is CC(CN1CCOCC1)OC(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The InChIKey is MZYBNTSSRLEWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-12(11-17-4-6-19-7-5-17)22-16(18)13-2-3-14-15(10-13)21-9-8-20-14/h2-3,10,12H,4-9,11H2,1H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate is sourced from PubChem (CID 654982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).