(1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol

C13H23NO2 — CID 25269670

IUPAC(1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol
SMILESCC1(C)[C@H]2C[C@@H](O)[C@@H](N3CCOCC3)[C@@H]1C2
InChIInChI=1S/C13H23NO2/c1-13(2)9-7-10(13)12(11(15)8-9)14-3-5-16-6-4-14/h9-12,15H,3-8H2,1-2H3/t9-,10+,11-,12+/m1/s1
InChIKeyKFFLBEZOZZLBQU-KXNHARMFSA-N
MW225.33 g/mol
LogP1.11
Rot. Bonds1

About (1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol

(1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol (PubChem CID 25269670) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol
PubChem CID25269670
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol
SMILESCC1(C)[C@H]2C[C@@H](O)[C@@H](N3CCOCC3)[C@@H]1C2
InChIInChI=1S/C13H23NO2/c1-13(2)9-7-10(13)12(11(15)8-9)14-3-5-16-6-4-14/h9-12,15H,3-8H2,1-2H3/t9-,10+,11-,12+/m1/s1
InChIKeyKFFLBEZOZZLBQU-KXNHARMFSA-N
XLogP1.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol?
The IUPAC name of (1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol (CID 25269670) is (1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol.
What is the SMILES notation for (1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol?
The canonical SMILES for (1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol is CC1(C)[C@H]2C[C@@H](O)[C@@H](N3CCOCC3)[C@@H]1C2.
What is the InChIKey of (1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol?
The InChIKey is KFFLBEZOZZLBQU-KXNHARMFSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2)9-7-10(13)12(11(15)8-9)14-3-5-16-6-4-14/h9-12,15H,3-8H2,1-2H3/t9-,10+,11-,12+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol?
(1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol has a molecular weight of 225.33 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-6,6-dimethyl-2-morpholin-4-ylbicyclo[3.1.1]heptan-3-ol is sourced from PubChem (CID 25269670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).