(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol

C16H23NO5 — CID 878803

IUPAC(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@@H](O)COc2ccc3c(c2)OCO3)C[C@@H](C)O1
InChIInChI=1S/C16H23NO5/c1-11-6-17(7-12(2)22-11)8-13(18)9-19-14-3-4-15-16(5-14)21-10-20-15/h3-5,11-13,18H,6-10H2,1-2H3/t11-,12-,13-/m1/s1
InChIKeyKKIZAFMRMYUXOL-JHJVBQTASA-N
MW309.36 g/mol
LogP1.26
Rot. Bonds5

About (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol

(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol (PubChem CID 878803) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
PubChem CID878803
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@@H](O)COc2ccc3c(c2)OCO3)C[C@@H](C)O1
InChIInChI=1S/C16H23NO5/c1-11-6-17(7-12(2)22-11)8-13(18)9-19-14-3-4-15-16(5-14)21-10-20-15/h3-5,11-13,18H,6-10H2,1-2H3/t11-,12-,13-/m1/s1
InChIKeyKKIZAFMRMYUXOL-JHJVBQTASA-N
XLogP1.26
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-yloxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53350591
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]propan-2-ol
CID 1051437
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 6591950
1-(4-bromo-3-fluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 59563422
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 2134501
1-(2,6-dimethylmorpholin-4-yl)-3-(3-fluorophenoxy)propan-2-ol
CID 59563430
1-(1,3-benzodioxol-5-yloxy)pentan-2-ol
CID 62041506
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
CID 21237651
1-(2,6-dimethylmorpholin-4-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237688
(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
CID 164702589
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1,3-benzodioxol-5-yloxy)propan-2-ol
CID 2884916
1-(1,3-benzodioxol-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 6603270

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The IUPAC name of (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol (CID 878803) is (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol is C[C@@H]1CN(C[C@@H](O)COc2ccc3c(c2)OCO3)C[C@@H](C)O1.
What is the InChIKey of (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The InChIKey is KKIZAFMRMYUXOL-JHJVBQTASA-N. The full InChI is InChI=1S/C16H23NO5/c1-11-6-17(7-12(2)22-11)8-13(18)9-19-14-3-4-15-16(5-14)21-10-20-15/h3-5,11-13,18H,6-10H2,1-2H3/t11-,12-,13-/m1/s1.
What are the key properties of (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol has a molecular weight of 309.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol is sourced from PubChem (CID 878803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).