1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol

C14H19NO4 — CID 6917732

IUPAC1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol
SMILESCC(O)C(c1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C14H19NO4/c1-10(16)14(15-4-6-17-7-5-15)11-2-3-12-13(8-11)19-9-18-12/h2-3,8,10,14,16H,4-7,9H2,1H3
InChIKeyKFSXLIJSXOJBCB-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.17
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol

1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol (PubChem CID 6917732) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol
PubChem CID6917732
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol
SMILESCC(O)C(c1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C14H19NO4/c1-10(16)14(15-4-6-17-7-5-15)11-2-3-12-13(8-11)19-9-18-12/h2-3,8,10,14,16H,4-7,9H2,1H3
InChIKeyKFSXLIJSXOJBCB-UHFFFAOYSA-N
XLogP1.17
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)acetamide
CID 4134863
2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine
CID 110626613
3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765503
1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol
CID 651898
(1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol
CID 95264989
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine
CID 135368630
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675884
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 52985984
(1S,2R)-2-amino-1-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93258024
1-(1,3-benzodioxol-5-yl)-2-bromopropan-1-ol
CID 12779709
1-[3-(1,3-benzodioxol-5-yl)butan-2-yl]pyrrolidine
CID 171532368

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol (CID 6917732) is 1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol is CC(O)C(c1ccc2c(c1)OCO2)N1CCOCC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol?
The InChIKey is KFSXLIJSXOJBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(16)14(15-4-6-17-7-5-15)11-2-3-12-13(8-11)19-9-18-12/h2-3,8,10,14,16H,4-7,9H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol?
1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol has a molecular weight of 265.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 6917732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).