(4-benzylmorpholin-2-yl)(cyclopropyl)methanol

• ChemBase ID: 89095
• Molecular Formular: C15H21NO2
• Molecular Mass: 247.33274
• Monoisotopic Mass: 247.15722892
• SMILES: N1(CCOC(C1)C(C1CC1)O)Cc1ccccc1
• Canonical SMILES: OC(C1OCCN(C1)Cc1ccccc1)C1CC1
• InChI: InChI=1S/C15H21NO2/c17-15(13-6-7-13)14-11-16(8-9-18-14)10-12-4-2-1-3-5-12/h1-5,13-15,17H,6-11H2
• InChIKey: MIXKOCBGTXYXIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-benzylmorpholin-2-yl)(cyclopropyl)methanol
• IUPAC Traditional name: (4-benzylmorpholin-2-yl)(cyclopropyl)methanol
• Synonyms: [(4-Benzylmorpholin-2-yl)(hydroxy)methyl]cyclopropane; 4-Benzyl-2-[cyclopropyl(hydroxy)methyl]morpholine; (4-Benzylmorpholin-2-yl)(cyclopropyl)methanol

Database IDs

• PubChem SID: 162104690
• PubChem CID: 59789293

CALCULATED PROPERTIES

• Acid pKa: 13.914906
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.21911627
• LogD (pH = 7.4): 1.6996379
• Log P: 1.9061515
• Molar Refractivity: 71.2499 cm^3
• Polarizability: 28.28138 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant