{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}(2-methoxyethyl)(pyridin-2-ylmethyl)amine

• ChemBase ID: 318661
• Molecular Formular: C24H33N3O
• Molecular Mass: 379.53832
• Monoisotopic Mass: 379.26236269
• SMILES: N1(C2Cc3c(C2)cccc3)CC(CN(Cc2ncccc2)CCOC)CCC1
• Canonical SMILES: COCCN(Cc1ccccn1)CC1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C24H33N3O/c1-28-14-13-26(19-23-10-4-5-11-25-23)17-20-7-6-12-27(18-20)24-15-21-8-2-3-9-22(21)16-24/h2-5,8-11,20,24H,6-7,12-19H2,1H3
• InChIKey: XXEMMYISHJZQBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}(2-methoxyethyl)(pyridin-2-ylmethyl)amine
• IUPAC Traditional name: {[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}(2-methoxyethyl)(pyridin-2-ylmethyl)amine
• Synonyms: N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-2-methoxy-N-(2-pyridinylmethyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0154805
• LogD (pH = 7.4): 0.7413175
• Log P: 3.37322
• Molar Refractivity: 115.4828 cm^3
• Polarizability: 45.129623 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.98
• LOG S: -2.77
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 7