4-[4-(piperidin-3-ylmethoxy)benzoyl]morpholine hydrochloride

• ChemBase ID: 55815
• Molecular Formular: C17H25ClN2O3
• Molecular Mass: 340.845
• Monoisotopic Mass: 340.15537035
• SMILES: C1CNCC(C1)COc1ccc(cc1)C(=O)N1CCOCC1.Cl
• Canonical SMILES: O=C(c1ccc(cc1)OCC1CCCNC1)N1CCOCC1.Cl
• InChI: InChI=1S/C17H24N2O3.ClH/c20-17(19-8-10-21-11-9-19)15-3-5-16(6-4-15)22-13-14-2-1-7-18-12-14;/h3-6,14,18H,1-2,7-13H2;1H
• InChIKey: JWBSNEJVVBLOEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(piperidin-3-ylmethoxy)benzoyl]morpholine hydrochloride
• IUPAC Traditional name: 4-[4-(piperidin-3-ylmethoxy)benzoyl]morpholine hydrochloride
• Synonyms: 4-[4-(Piperidin-3-ylmethoxy)benzoyl]morpholine hydrochloride

Database IDs

• MDL Number: MFCD19103455
• PubChem SID: 162060578
• PubChem CID: 56773784

CALCULATED PROPERTIES

• Log P: 1.0409822
• Molar Refractivity: 85.3431 cm^3
• Polarizability: 33.01593 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1809056
• LogD (pH = 7.4): -1.5233178

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false