4-(morpholin-4-ylmethyl)piperidin-4-ol dihydrochloride

• ChemBase ID: 246214
• Molecular Formular: C10H22Cl2N2O2
• Molecular Mass: 273.19988
• Monoisotopic Mass: 272.10583331
• SMILES: N1(CC2(CCNCC2)O)CCOCC1.Cl.Cl
• Canonical SMILES: OC1(CCNCC1)CN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2O2.2ClH/c13-10(1-3-11-4-2-10)9-12-5-7-14-8-6-12;;/h11,13H,1-9H2;2*1H
• InChIKey: CUXYZUDQZDLSLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-ylmethyl)piperidin-4-ol dihydrochloride
• IUPAC Traditional name: 4-(morpholin-4-ylmethyl)piperidin-4-ol dihydrochloride
• Synonyms: 4-(morpholin-4-ylmethyl)piperidin-4-ol dihydrochloride

Database IDs

• MDL Number: MFCD23144251
• PubChem SID: 164302124
• PubChem CID: 66860023

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -6.621275
• LogD (pH = 7.4): -3.9560788
• Log P: -1.1509061
• Molar Refractivity: 55.4009 cm^3
• Polarizability: 22.059525 Å^3
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 14.33075

PROPERTIES

Physical Property

• Melting Point: 216 - 218°C
• Hydrophobicity(logP): -0.806

Product Information

• Purity: 95%