2-methyl-4-(piperidin-4-yl)morpholine dihydrochloride

• ChemBase ID: 259382
• Molecular Formular: C10H22Cl2N2O
• Molecular Mass: 257.20048
• Monoisotopic Mass: 256.11091869
• SMILES: N1(CC(OCC1)C)C1CCNCC1.Cl.Cl
• Canonical SMILES: CC1OCCN(C1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2O.2ClH/c1-9-8-12(6-7-13-9)10-2-4-11-5-3-10;;/h9-11H,2-8H2,1H3;2*1H
• InChIKey: WCFISZGCJHZTEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(piperidin-4-yl)morpholine dihydrochloride
• IUPAC Traditional name: 2-methyl-4-(piperidin-4-yl)morpholine dihydrochloride
• Synonyms: 2-methyl-4-(piperidin-4-yl)morpholine dihydrochloride

Database IDs

• MDL Number: MFCD11858033
• PubChem SID: 164315292
• PubChem CID: 42948940

CALCULATED PROPERTIES

• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.4744463
• LogD (pH = 7.4): -2.7534623
• Log P: 0.03200223
• Molar Refractivity: 53.6378 cm^3
• Polarizability: 21.43625 Å^3

PROPERTIES

Physical Property

• Melting Point: 335 - 337°C
• Hydrophobicity(logP): 0.089

Product Information

• Purity: 95%