dimethyl(2-{2-[1-(morpholine-4-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}ethyl)amine

• ChemBase ID: 470782
• Molecular Formular: C17H29N5O2
• Molecular Mass: 335.44446
• Monoisotopic Mass: 335.23212519
• SMILES: C(=O)(N1CCC(c2n(ccn2)CCN(C)C)CC1)N1CCOCC1
• Canonical SMILES: CN(CCn1ccnc1C1CCN(CC1)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C17H29N5O2/c1-19(2)9-10-20-8-5-18-16(20)15-3-6-21(7-4-15)17(23)22-11-13-24-14-12-22/h5,8,15H,3-4,6-7,9-14H2,1-2H3
• InChIKey: MHHRCVBZQLNOJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-{2-[1-(morpholine-4-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}ethyl)amine
• IUPAC Traditional name: dimethyl(2-{2-[1-(morpholine-4-carbonyl)piperidin-4-yl]imidazol-1-yl}ethyl)amine
• Synonyms: N,N-dimethyl-2-{2-[1-(4-morpholinylcarbonyl)-4-piperidinyl]-1H-imidazol-1-yl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.6671484
• LogD (pH = 7.4): -1.7022142
• Log P: -0.17101258
• Molar Refractivity: 93.9114 cm^3
• Polarizability: 35.965385 Å^3
• Polar Surface Area: 53.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.06
• LOG S: -2.9
• Polar Surface Area: 53.84 Å^2
• Rotatable Bonds: 4