dimethyl(3-{2-[1-(pyridin-2-yl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)amine

• ChemBase ID: 364968
• Molecular Formular: C18H27N5
• Molecular Mass: 313.44048
• Monoisotopic Mass: 313.22664589
• SMILES: c1(n(ccn1)CCCN(C)C)C1CCN(c2ncccc2)CC1
• Canonical SMILES: CN(CCCn1ccnc1C1CCN(CC1)c1ccccn1)C
• InChI: InChI=1S/C18H27N5/c1-21(2)11-5-12-23-15-10-20-18(23)16-7-13-22(14-8-16)17-6-3-4-9-19-17/h3-4,6,9-10,15-16H,5,7-8,11-14H2,1-2H3
• InChIKey: CUKXKSXSNCOZSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(3-{2-[1-(pyridin-2-yl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)amine
• IUPAC Traditional name: dimethyl(3-{2-[1-(pyridin-2-yl)piperidin-4-yl]imidazol-1-yl}propyl)amine
• Synonyms: N,N-dimethyl-3-{2-[1-(2-pyridinyl)-4-piperidinyl]-1H-imidazol-1-yl}-1-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.2208304
• LogD (pH = 7.4): -0.3880662
• Log P: 2.034652
• Molar Refractivity: 95.6161 cm^3
• Polarizability: 36.03691 Å^3
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.36
• LOG S: -1.64
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 6