(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride

C15H28Cl2N2O3 — CID 3042764

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride
SMILESCN1C2CCC1CC(OC(=O)CCN1CCOCC1)C2.Cl.Cl
InChIInChI=1S/C15H26N2O3.2ClH/c1-16-12-2-3-13(16)11-14(10-12)20-15(18)4-5-17-6-8-19-9-7-17;;/h12-14H,2-11H2,1H3;2*1H
InChIKeyYHAQFYGLGPCESZ-UHFFFAOYSA-N
MW355.31 g/mol
LogP1.72
Rot. Bonds4

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride (PubChem CID 3042764) has the molecular formula C15H28Cl2N2O3 and a molecular weight of 355.31 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride
PubChem CID3042764
Molecular FormulaC15H28Cl2N2O3
Molecular Weight355.31 g/mol
Exact Mass354.15
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride
SMILESCN1C2CCC1CC(OC(=O)CCN1CCOCC1)C2.Cl.Cl
InChIInChI=1S/C15H26N2O3.2ClH/c1-16-12-2-3-13(16)11-14(10-12)20-15(18)4-5-17-6-8-19-9-7-17;;/h12-14H,2-11H2,1H3;2*1H
InChIKeyYHAQFYGLGPCESZ-UHFFFAOYSA-N
XLogP1.72
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride (CID 3042764) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride is CN1C2CCC1CC(OC(=O)CCN1CCOCC1)C2.Cl.Cl.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride?
The InChIKey is YHAQFYGLGPCESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3.2ClH/c1-16-12-2-3-13(16)11-14(10-12)20-15(18)4-5-17-6-8-19-9-7-17;;/h12-14H,2-11H2,1H3;2*1H.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride has a molecular weight of 355.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-morpholin-4-ylpropanoate;dihydrochloride is sourced from PubChem (CID 3042764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).