[(4-ethylphenyl)methyl]({[1-(2-methoxyethyl)piperidin-4-yl]methyl})(pyridin-4-ylmethyl)amine

• ChemBase ID: 514969
• Molecular Formular: C24H35N3O
• Molecular Mass: 381.5542
• Monoisotopic Mass: 381.27801276
• SMILES: N(Cc1ccc(cc1)CC)(Cc1ccncc1)CC1CCN(CC1)CCOC
• Canonical SMILES: COCCN1CCC(CC1)CN(Cc1ccc(cc1)CC)Cc1ccncc1
• InChI: InChI=1S/C24H35N3O/c1-3-21-4-6-22(7-5-21)18-27(19-23-8-12-25-13-9-23)20-24-10-14-26(15-11-24)16-17-28-2/h4-9,12-13,24H,3,10-11,14-20H2,1-2H3
• InChIKey: BKPOWLBOYCNWQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-ethylphenyl)methyl]({[1-(2-methoxyethyl)piperidin-4-yl]methyl})(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: [(4-ethylphenyl)methyl]({[1-(2-methoxyethyl)piperidin-4-yl]methyl})(pyridin-4-ylmethyl)amine
• Synonyms: (4-ethylbenzyl){[1-(2-methoxyethyl)-4-piperidinyl]methyl}(4-pyridinylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.7297776
• LogD (pH = 7.4): 0.27477303
• Log P: 3.8198647
• Molar Refractivity: 118.0112 cm^3
• Polarizability: 45.94484 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.86
• LOG S: -2.13
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 8