4-methyl-2-[(3-methylpiperazin-1-yl)methyl]morpholine

• ChemBase ID: 271403
• Molecular Formular: C11H23N3O
• Molecular Mass: 213.31982
• Monoisotopic Mass: 213.18411237
• SMILES: N1(CC2OCCN(C2)C)CC(NCC1)C
• Canonical SMILES: CN1CCOC(C1)CN1CCNC(C1)C
• InChI: InChI=1S/C11H23N3O/c1-10-7-14(4-3-12-10)9-11-8-13(2)5-6-15-11/h10-12H,3-9H2,1-2H3
• InChIKey: ZHFSWJGVRVKJJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-[(3-methylpiperazin-1-yl)methyl]morpholine
• IUPAC Traditional name: 4-methyl-2-[(3-methylpiperazin-1-yl)methyl]morpholine
• Synonyms: 4-methyl-2-[(3-methylpiperazin-1-yl)methyl]morpholine

Database IDs

• MDL Number: MFCD20731093
• PubChem SID: 164327313
• PubChem CID: 56828017

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.937498
• LogD (pH = 7.4): -2.2221487
• Log P: -0.06927273
• Molar Refractivity: 61.9261 cm^3
• Polarizability: 24.80531 Å^3
• Polar Surface Area: 27.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.581

Product Information

• Purity: 95%