4-({1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl}methyl)morpholine

• ChemBase ID: 313517
• Molecular Formular: C22H30N2O2
• Molecular Mass: 354.4858
• Monoisotopic Mass: 354.23072821
• SMILES: c1(c2c(c(cc1)OC)cccc2)CN1CCC(CN2CCOCC2)CC1
• Canonical SMILES: COc1ccc(c2c1cccc2)CN1CCC(CC1)CN1CCOCC1
• InChI: InChI=1S/C22H30N2O2/c1-25-22-7-6-19(20-4-2-3-5-21(20)22)17-23-10-8-18(9-11-23)16-24-12-14-26-15-13-24/h2-7,18H,8-17H2,1H3
• InChIKey: KQDDGWIEJSUFIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl}methyl)morpholine
• IUPAC Traditional name: 4-({1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl}methyl)morpholine
• Synonyms: 4-({1-[(4-methoxy-1-naphthyl)methyl]-4-piperidinyl}methyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.5848186
• LogD (pH = 7.4): 0.49349704
• Log P: 3.0153544
• Molar Refractivity: 106.8577 cm^3
• Polarizability: 42.95388 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.11
• LOG S: -3.43
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 5