1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-2-[2-(pyrrolidin-1-yl)ethyl]piperidine

• ChemBase ID: 637763
• Molecular Formular: C18H32N4O
• Molecular Mass: 320.47288
• Monoisotopic Mass: 320.25761166
• SMILES: c1(n(ccn1)CCOC)CN1C(CCN2CCCC2)CCCC1
• Canonical SMILES: COCCn1ccnc1CN1CCCCC1CCN1CCCC1
• InChI: InChI=1S/C18H32N4O/c1-23-15-14-21-13-8-19-18(21)16-22-11-3-2-6-17(22)7-12-20-9-4-5-10-20/h8,13,17H,2-7,9-12,14-16H2,1H3
• InChIKey: LRFNXCNSOMZISY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-2-[2-(pyrrolidin-1-yl)ethyl]piperidine
• IUPAC Traditional name: 1-{[1-(2-methoxyethyl)imidazol-2-yl]methyl}-2-[2-(pyrrolidin-1-yl)ethyl]piperidine
• Synonyms: 1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-2-(2-pyrrolidin-1-ylethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.8325522
• LogD (pH = 7.4): -1.147845
• Log P: 1.4405745
• Molar Refractivity: 95.0604 cm^3
• Polarizability: 36.972 Å^3
• Polar Surface Area: 33.53 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: 1.92
• LOG S: -2.17
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 8