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

• ChemBase ID: 505169
• Molecular Formular: C21H40N2O2
• Molecular Mass: 352.5545
• Monoisotopic Mass: 352.30897853
• SMILES: N(CC1OCCC1)(CC1CCN(CC1)CCOC)CC1CCCCC1
• Canonical SMILES: COCCN1CCC(CC1)CN(CC1CCCO1)CC1CCCCC1
• InChI: InChI=1S/C21H40N2O2/c1-24-15-13-22-11-9-20(10-12-22)17-23(18-21-8-5-14-25-21)16-19-6-3-2-4-7-19/h19-21H,2-18H2,1H3
• InChIKey: ZZSOHZAJOORULQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclohexylmethyl)({[1-(2-methoxyethyl)piperidin-4-yl]methyl})(oxolan-2-ylmethyl)amine
• IUPAC Traditional name: (cyclohexylmethyl)({[1-(2-methoxyethyl)piperidin-4-yl]methyl})(oxolan-2-ylmethyl)amine
• Synonyms: (cyclohexylmethyl){[1-(2-methoxyethyl)-4-piperidinyl]methyl}(tetrahydro-2-furanylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.5658545
• LogD (pH = 7.4): -1.5944299
• Log P: 3.1634731
• Molar Refractivity: 105.3004 cm^3
• Polarizability: 41.66518 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.16
• LOG S: -1.66
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 8