1-methyl-N-[2-(morpholin-4-yl)ethyl]piperidin-4-amine

• ChemBase ID: 19085
• Molecular Formular: C12H25N3O
• Molecular Mass: 227.3464
• Monoisotopic Mass: 227.19976244
• SMILES: N1(CCC(CC1)NCCN1CCOCC1)C
• Canonical SMILES: CN1CCC(CC1)NCCN1CCOCC1
• InChI: InChI=1S/C12H25N3O/c1-14-5-2-12(3-6-14)13-4-7-15-8-10-16-11-9-15/h12-13H,2-11H2,1H3
• InChIKey: LOANAAFFESMCTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-[2-(morpholin-4-yl)ethyl]piperidin-4-amine
• IUPAC Traditional name: 1-methyl-N-[2-(morpholin-4-yl)ethyl]piperidin-4-amine
• Synonyms: (1-Methyl-piperidin-4-yl)-(2-morpholin-4-yl-ethyl)-amine

Database IDs

• MDL Number: MFCD00979774
• PubChem SID: 160982392
• PubChem CID: 758100

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.520066
• LogD (pH = 7.4): -3.1321135
• Log P: -0.36592826
• Molar Refractivity: 67.2381 cm^3
• Polarizability: 26.648722 Å^3
• Polar Surface Area: 27.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false