1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol

C12H21NO2 — CID 134961999

IUPAC1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(N1CCOCC1)C2O
InChIInChI=1S/C12H21NO2/c1-12-3-2-9(8-12)10(11(12)14)13-4-6-15-7-5-13/h9-11,14H,2-8H2,1H3
InChIKeyMGMFXILBWKIANX-UHFFFAOYSA-N
MW211.30 g/mol
LogP0.87
Rot. Bonds1

About 1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol

1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol (PubChem CID 134961999) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol
PubChem CID134961999
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(N1CCOCC1)C2O
InChIInChI=1S/C12H21NO2/c1-12-3-2-9(8-12)10(11(12)14)13-4-6-15-7-5-13/h9-11,14H,2-8H2,1H3
InChIKeyMGMFXILBWKIANX-UHFFFAOYSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol (CID 134961999) is 1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol is CC12CCC(C1)C(N1CCOCC1)C2O.
What is the InChIKey of 1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is MGMFXILBWKIANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12-3-2-9(8-12)10(11(12)14)13-4-6-15-7-5-13/h9-11,14H,2-8H2,1H3.
What are the key properties of 1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol?
1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 211.30 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 134961999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).