1-[2-(morpholin-4-yl)ethyl]piperidin-4-amine trihydrochloride

• ChemBase ID: 267169
• Molecular Formular: C11H26Cl3N3O
• Molecular Mass: 322.70264
• Monoisotopic Mass: 321.11414551
• SMILES: N1(CCC(CC1)N)CCN1CCOCC1.Cl.Cl.Cl
• Canonical SMILES: NC1CCN(CC1)CCN1CCOCC1.Cl.Cl.Cl
• InChI: InChI=1S/C11H23N3O.3ClH/c12-11-1-3-13(4-2-11)5-6-14-7-9-15-10-8-14;;;/h11H,1-10,12H2;3*1H
• InChIKey: YENHEZHJLRKQKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(morpholin-4-yl)ethyl]piperidin-4-amine trihydrochloride
• IUPAC Traditional name: 1-[2-(morpholin-4-yl)ethyl]piperidin-4-amine trihydrochloride
• Synonyms: 1-[2-(morpholin-4-yl)ethyl]piperidin-4-amine trihydrochloride

Database IDs

• MDL Number: MFCD16040143
• PubChem SID: 164323079
• PubChem CID: 47002949

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -6.0798545
• LogD (pH = 7.4): -4.033628
• Log P: -0.79850864
• Molar Refractivity: 62.4635 cm^3
• Polarizability: 24.80531 Å^3
• Polar Surface Area: 41.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 306 - 308°C
• Hydrophobicity(logP): -1.303

Product Information

• Purity: 95%