4-[2-(piperidin-4-yl)ethyl]morpholine hydrochloride

• ChemBase ID: 265969
• Molecular Formular: C11H23ClN2O
• Molecular Mass: 234.76612
• Monoisotopic Mass: 234.14989105
• SMILES: N1(CCC2CCNCC2)CCOCC1.Cl
• Canonical SMILES: N1CCC(CC1)CCN1CCOCC1.Cl
• InChI: InChI=1S/C11H22N2O.ClH/c1-4-12-5-2-11(1)3-6-13-7-9-14-10-8-13;/h11-12H,1-10H2;1H
• InChIKey: SQCQTTGIMYYQPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(piperidin-4-yl)ethyl]morpholine hydrochloride
• IUPAC Traditional name: 4-[2-(piperidin-4-yl)ethyl]morpholine hydrochloride
• Synonyms: 4-[2-(piperidin-4-yl)ethyl]morpholine hydrochloride

Database IDs

• MDL Number: MFCD14705881
• PubChem SID: 164321879
• PubChem CID: 47002558

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.1031637
• LogD (pH = 7.4): -2.9076767
• Log P: 0.4426429
• Molar Refractivity: 58.715 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161 - 163°C
• Hydrophobicity(logP): 0.927

Product Information

• Purity: 95%