1-({2-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)piperidin-3-amine

• ChemBase ID: 734305
• Molecular Formular: C18H29N3O2
• Molecular Mass: 319.44176
• Monoisotopic Mass: 319.22597718
• SMILES: N1(Cc2c(OCCN3CCOCC3)cccc2)CC(N)CCC1
• Canonical SMILES: NC1CCCN(C1)Cc1ccccc1OCCN1CCOCC1
• InChI: InChI=1S/C18H29N3O2/c19-17-5-3-7-21(15-17)14-16-4-1-2-6-18(16)23-13-10-20-8-11-22-12-9-20/h1-2,4,6,17H,3,5,7-15,19H2
• InChIKey: HUKFUDMQNWQRGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({2-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)piperidin-3-amine
• IUPAC Traditional name: 1-({2-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)piperidin-3-amine
• Synonyms: 1-[2-(2-morpholin-4-ylethoxy)benzyl]piperidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.6421516
• LogD (pH = 7.4): -1.0425982
• Log P: 1.2256961
• Molar Refractivity: 93.3185 cm^3
• Polarizability: 36.91953 Å^3
• Polar Surface Area: 50.96 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.73
• LOG S: -1.15
• Polar Surface Area: 50.96 Å^2
• Rotatable Bonds: 6