4-[(4-methylpiperidin-4-yl)methyl]morpholine dihydrochloride

• ChemBase ID: 243278
• Molecular Formular: C11H24Cl2N2O
• Molecular Mass: 271.22706
• Monoisotopic Mass: 270.12656876
• SMILES: N1(CC2(CCNCC2)C)CCOCC1.Cl.Cl
• Canonical SMILES: CC1(CCNCC1)CN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2O.2ClH/c1-11(2-4-12-5-3-11)10-13-6-8-14-9-7-13;;/h12H,2-10H2,1H3;2*1H
• InChIKey: IFGBLDSCNKPYFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-methylpiperidin-4-yl)methyl]morpholine dihydrochloride
• IUPAC Traditional name: 4-[(4-methylpiperidin-4-yl)methyl]morpholine dihydrochloride
• Synonyms: 4-[(4-methylpiperidin-4-yl)methyl]morpholine dihydrochloride

Database IDs

• MDL Number: MFCD22578637
• PubChem SID: 164299188
• PubChem CID: 71757214

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.325962
• LogD (pH = 7.4): -3.079508
• Log P: 0.45402882
• Molar Refractivity: 58.4351 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.917

Product Information

• Purity: 95%