N-[2,2-dimethyl-3-(morpholin-4-yl)propyl]-1,2,2,6,6-pentamethylpiperidin-4-amine

• ChemBase ID: 582199
• Molecular Formular: C19H39N3O
• Molecular Mass: 325.53246
• Monoisotopic Mass: 325.30931288
• SMILES: N1(C(CC(CC1(C)C)NCC(CN1CCOCC1)(C)C)(C)C)C
• Canonical SMILES: CN1C(C)(C)CC(CC1(C)C)NCC(CN1CCOCC1)(C)C
• InChI: InChI=1S/C19H39N3O/c1-17(2,15-22-8-10-23-11-9-22)14-20-16-12-18(3,4)21(7)19(5,6)13-16/h16,20H,8-15H2,1-7H3
• InChIKey: SITJTLATCRHMGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2,2-dimethyl-3-(morpholin-4-yl)propyl]-1,2,2,6,6-pentamethylpiperidin-4-amine
• IUPAC Traditional name: N-[2,2-dimethyl-3-(morpholin-4-yl)propyl]-1,2,2,6,6-pentamethylpiperidin-4-amine
• Synonyms: N-[2,2-dimethyl-3-(4-morpholinyl)propyl]-1,2,2,6,6-pentamethyl-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.8659306
• LogD (pH = 7.4): -2.2927034
• Log P: 2.06001
• Molar Refractivity: 98.9768 cm^3
• Polarizability: 39.561546 Å^3
• Polar Surface Area: 27.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.07
• LOG S: -3.19
• Polar Surface Area: 27.74 Å^2
• Rotatable Bonds: 5