4-(4-methylpiperidin-4-yl)morpholine dihydrochloride

• ChemBase ID: 290123
• Molecular Formular: C10H22Cl2N2O
• Molecular Mass: 257.20048
• Monoisotopic Mass: 256.11091869
• SMILES: CC1(N2CCOCC2)CCNCC1.Cl.Cl
• Canonical SMILES: CC1(CCNCC1)N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2O.2ClH/c1-10(2-4-11-5-3-10)12-6-8-13-9-7-12;;/h11H,2-9H2,1H3;2*1H
• InChIKey: TZCXOFZJOMLDSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methylpiperidin-4-yl)morpholine dihydrochloride
• IUPAC Traditional name: 4-(4-methylpiperidin-4-yl)morpholine dihydrochloride
• Synonyms: 4-(4-Methylpiperidin-4-yl)morpholine dihydrochloride

Database IDs

• CAS Number: 1208090-98-5
• MDL Number: MFCD09743690
• PubChem SID: 180675654
• PubChem CID: 46738257

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.6538076
• LogD (pH = 7.4): -2.8838534
• Log P: -0.10399613
• Molar Refractivity: 53.8572 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%