(1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol

C14H25NO3 — CID 98541620

IUPAC(1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol
SMILESCC1(C)O[C@]2(C)CC[C@@H]1[C@@H](O)[C@H]2N1CCOCC1
InChIInChI=1S/C14H25NO3/c1-13(2)10-4-5-14(3,18-13)12(11(10)16)15-6-8-17-9-7-15/h10-12,16H,4-9H2,1-3H3/t10-,11-,12-,14-/m1/s1
InChIKeyKVVRWJSJKXCRTD-HKUMRIAESA-N
MW255.36 g/mol
LogP1.03
Rot. Bonds1

About (1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol

(1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol (PubChem CID 98541620) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol.

Molecular Properties

Compound Name(1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol
PubChem CID98541620
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol
SMILESCC1(C)O[C@]2(C)CC[C@@H]1[C@@H](O)[C@H]2N1CCOCC1
InChIInChI=1S/C14H25NO3/c1-13(2)10-4-5-14(3,18-13)12(11(10)16)15-6-8-17-9-7-15/h10-12,16H,4-9H2,1-3H3/t10-,11-,12-,14-/m1/s1
InChIKeyKVVRWJSJKXCRTD-HKUMRIAESA-N
XLogP1.03
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol with MolForge

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Related Compounds

(1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol
CID 98541609
(1S,4R,5S,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-5,6-diol
CID 124674049
1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane
CID 556904
5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane
CID 3936995
1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol
CID 134961999
2,2-dimethyl-3-morpholin-4-ylcyclobutan-1-ol
CID 114631728
2,2-dimethyl-3-morpholin-4-yl-3,4-dihydrochromen-4-ol
CID 82187161
(1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol
CID 25269670
2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide
CID 24840176
6,6-dimethyl-1-(oxan-4-yl)azepan-4-ol
CID 131910172
phenyl-[(1R,2R,4S,5S)-5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonan-3-yl]methanone
CID 98540800
2,2,4-trimethyl-3-morpholin-4-ylthietane 1,1-dioxide
CID 6610822

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol?
The IUPAC name of (1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol (CID 98541620) is (1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol.
What is the SMILES notation for (1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol?
The canonical SMILES for (1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol is CC1(C)O[C@]2(C)CC[C@@H]1[C@@H](O)[C@H]2N1CCOCC1.
What is the InChIKey of (1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol?
The InChIKey is KVVRWJSJKXCRTD-HKUMRIAESA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2)10-4-5-14(3,18-13)12(11(10)16)15-6-8-17-9-7-15/h10-12,16H,4-9H2,1-3H3/t10-,11-,12-,14-/m1/s1.
What are the key properties of (1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol?
(1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol has a molecular weight of 255.36 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol is sourced from PubChem (CID 98541620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).