3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(3-methoxypropyl)piperidine

• ChemBase ID: 538162
• Molecular Formular: C16H27N3O
• Molecular Mass: 277.40508
• Monoisotopic Mass: 277.2154125
• SMILES: c1(n(CC2CC2)ccn1)C1CN(CCCOC)CCC1
• Canonical SMILES: COCCCN1CCCC(C1)c1nccn1CC1CC1
• InChI: InChI=1S/C16H27N3O/c1-20-11-3-9-18-8-2-4-15(13-18)16-17-7-10-19(16)12-14-5-6-14/h7,10,14-15H,2-6,8-9,11-13H2,1H3
• InChIKey: QRXLQZWQGOFOMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(3-methoxypropyl)piperidine
• IUPAC Traditional name: 3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-(3-methoxypropyl)piperidine
• Synonyms: 3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(3-methoxypropyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.0729783
• LogD (pH = 7.4): -0.15282904
• Log P: 1.6376114
• Molar Refractivity: 81.7734 cm^3
• Polarizability: 31.683313 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.64
• LOG S: -1.62
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 7