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

• ChemBase ID: 187998
• Molecular Formular: C15H28Cl2N2O3
• Molecular Mass: 355.30042
• Monoisotopic Mass: 354.14769813
• SMILES: N1(C2CC(CC1CC2)OC(=O)CCN1CCOCC1)C.Cl.Cl
• Canonical SMILES: O=C(OC1CC2CCC(C1)N2C)CCN1CCOCC1.Cl.Cl
• InChI: 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
• InChIKey: YHAQFYGLGPCESZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-(morpholin-4-yl)propanoate dihydrochloride
• IUPAC Traditional name: 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-(morpholin-4-yl)propanoate dihydrochloride

Database IDs

• PubChem SID: 164243908
• PubChem CID: 3042764

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.6591281
• Log P: 0.38469684
• Molar Refractivity: 76.9482 cm^3
• Polarizability: 30.690178 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.1177626

PROPERTIES

Product Information

• Salt Data: 2 HCl
• Classification: Rare Derivatives of Natural Compounds