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

• ChemBase ID: 271404
• Molecular Formular: C10H21N3O
• Molecular Mass: 199.29324
• Monoisotopic Mass: 199.16846231
• SMILES: N1(CC2OCCNC2)CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)CC1CNCCO1
• InChI: InChI=1S/C10H21N3O/c1-12-3-5-13(6-4-12)9-10-8-11-2-7-14-10/h10-11H,2-9H2,1H3
• InChIKey: LVJJADOJEHOLEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14236947
• PubChem SID: 164327314
• PubChem CID: 14627568

CALCULATED PROPERTIES

• Molar Refractivity: 57.5073 cm^3
• Polarizability: 22.962423 Å^3
• Polar Surface Area: 27.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.6901345
• LogD (pH = 7.4): -2.309412
• Log P: -0.48584774

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.256

Product Information

• Purity: 95%